Science.gov

Sample records for 2nd order perturbation

  1. Exogenous attention enhances 2nd-order contrast sensitivity.

    PubMed

    Barbot, Antoine; Landy, Michael S; Carrasco, Marisa

    2011-05-11

    Natural scenes contain a rich variety of contours that the visual system extracts to segregate the retinal image into perceptually coherent regions. Covert spatial attention helps extract contours by enhancing contrast sensitivity for 1st-order, luminance-defined patterns at attended locations, while reducing sensitivity at unattended locations, relative to neutral attention allocation. However, humans are also sensitive to 2nd-order patterns such as spatial variations of texture, which are predominant in natural scenes and cannot be detected by linear mechanisms. We assess whether and how exogenous attention--the involuntary and transient capture of spatial attention--affects the contrast sensitivity of channels sensitive to 2nd-order, texture-defined patterns. Using 2nd-order, texture-defined stimuli, we demonstrate that exogenous attention increases 2nd-order contrast sensitivity at the attended location, while decreasing it at unattended locations, relative to a neutral condition. By manipulating both 1st- and 2nd-order spatial frequency, we find that the effects of attention depend both on 2nd-order spatial frequency of the stimulus and the observer's 2nd-order spatial resolution at the target location. At parafoveal locations, attention enhances 2nd-order contrast sensitivity to high, but not to low 2nd-order spatial frequencies; at peripheral locations attention also enhances sensitivity to low 2nd-order spatial frequencies. Control experiments rule out the possibility that these effects might be due to an increase in contrast sensitivity at the 1st-order stage of visual processing. Thus, exogenous attention affects 2nd-order contrast sensitivity at both attended and unattended locations. PMID:21356228

  2. Exogenous attention enhances 2nd-order contrast sensitivity

    PubMed Central

    Barbot, Antoine; Landy, Michael S.; Carrasco, Marisa

    2011-01-01

    Natural scenes contain a rich variety of contours that the visual system extracts to segregrate the retinal image into perceptually coherent regions. Covert spatial attention helps extract contours by enhancing contrast sensitivity for 1st-order, luminance-defined patterns at attended locations, while reducing sensitivity at unattended locations, relative to neutral attention allocation. However, humans are also sensitive to 2nd-order patterns such as spatial variations of texture, which are predominant in natural scenes and cannot be detected by linear mechanisms. We assess whether and how exogenous attention—the involuntary and transient capture of spatial attention—affects the contrast sensitivity of channels sensitive to 2nd-order, texture-defined patterns. Using 2nd-order, texture-defined stimuli, we demonstrate that exogenous attention increases 2nd-order contrast sensitivity at the attended location, while decreasing it at unattended locations, relative to a neutral condition. By manipulating both 1st- and 2nd-order spatial frequency, we find that the effects of attention depend both on 2nd-order spatial frequency of the stimulus and the observer’s 2nd-order spatial resolution at the target location. At parafoveal locations, attention enhances 2nd-order contrast sensitivity to high, but not to low 2nd-order spatial frequencies; at peripheral locations attention also enhances sensitivity to low 2nd-order spatial frequencies. Control experiments rule out the possibility that these effects might be due to an increase in contrast sensitivity at the 1st-order stage of visual processing. Thus, exogenous attention affects 2nd-order contrast sensitivity at both attended and unattended locations. PMID:21356228

  3. The transient nature of 2nd-order stereopsis.

    PubMed

    Hess, Robert F; Wilcox, Laurie M

    2008-05-01

    There are currently two competing dichotomies used to describe how local stereoscopic information is processed by the human visual system. The first is in terms of the type of the spatial filtering operations used to extract relevant image features prior to stereoscopic analysis (i.e. 1st- vs 2nd-order stereo; [Hess, R. F., & Wilcox, L. M. (1994). Linear and non-linear filtering in stereopsis. Vision Research, 34, 2431-2438]). The second is in terms of the temporal properties of the mechanisms used to process stereoscopic information (i.e. sustained vs transient stereo; [Schor, C. M., Edwards, M., & Pope, D. R. (1998). Spatial-frequency and contrast tuning of the transient-stereopsis system. Vision Research, 38(20), 3057-3068]). Here we compare the dynamics of 1st- and 2nd-order stereopsis using several types of stimuli and find a clear dissociation in which 1st-order stimuli exhibit sustained properties while 2nd-order patterns show more transient properties. Our results and analyses unify and simplify two complimentary bodies of work. PMID:18407312

  4. 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.

  5. The 2nd-order Post-Newtonian Orbit Equation of Light

    NASA Astrophysics Data System (ADS)

    Xiao, Yu; Fei, Bao-Jun; Sun, Wei-Jin; Ji, Cheng-Xiang

    2008-10-01

    Based on the 2nd-order post-Newtonian approximation under the DSX frame of the general relativity theory, the 2nd-order post-Newtonian orbital equation of light in the axis-symmetrical stationary spacetime is derived, and from this, the angle of deflection of light propagating in the equatorial plane is derived. The obtained results are consistent with those of the Schwarzchild and Kerr metrics within the limits of measuring precision.

  6. Four-dimensional investigation of the 2nd order volume autocorrelation technique

    NASA Astrophysics Data System (ADS)

    Faucher, O.; Tzallas, P.; Benis, E. P.; Kruse, J.; Peralta Conde, A.; Kalpouzos, C.; Charalambidis, D.

    2009-10-01

    The 2nd order volume autocorrelation technique, widely utilized in directly measuring ultra-short light pulses durations, is examined in detail via model calculations that include three-dimensional integration over a large ionization volume, temporal delay and spatial displacement of the two beams of the autocorrelator at the focus. The effects of the inherent displacement to the 2nd order autocorrelation technique are demonstrated for short and long pulses, elucidating the appropriate implementation of the technique in tight focusing conditions. Based on the above investigations, a high accuracy 2nd order volume autocorrelation measurement of the duration of the 5th harmonic of a 50 fs long laser pulse, including the measurement of the carrier wavelength oscillation, is presented.

  7. 2nd-Order CESE Results For C1.1: Transonic Ringleb 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 (an unstructured Navier-Stokes solver coded in C++ with serial and parallel versions available.) 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.

  8. 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.

  9. 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.

  10. Computer Generation of Subduction Frequencies for 2ND Order Phase Transitions in Two-Dimensions

    NASA Astrophysics Data System (ADS)

    Deonarine, Samaroo

    The Landau theory of 2nd order phase transitions and Group theory Criteria are used to predict which subgroups G (L-HOOK EQ) G(,0) can occur in transitions for 2-D systems (plane-group to plane-group and diperiodic to diperiodic). Previous work 1 on the 17 plane space groups has been based on the tables of Coxeter & Moser 2 and the International Tables of X-ray Crystallography (ITXRC, 1965) 3 . These tables do not exhaust all the possible subgroups of a space group 4 . Since such explicit tables are non-existent for other families of space groups we have developed algorithms that make a systematic search of the parent unit cell of G(,0) to locate the origin and orientation of all its subgroups G, G (L-HOOK EQ) G(,0). We have written a RATFOR/FORTRAN program for the VAX 11-780 which will generate the subduction frequencies. (DIAGRAM, TABLE OR GRAPHIC OMITTED...PLEASE SEE DAI). for allowed second order phase transitions in 2-dimensional systems that are describable by the 80 diperiodic Groups G(,0) and G 5 . Our program gives a complete tabulation (Origin, new Translation Sublattice, Subduction Frequency, Subgroup and its Generators) of the allowed continuous or second order phase transitions from a parent diperiodic group G(,0) to another diperiodic subgroup G.

  11. 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.

  12. Order and disorder in Ca 2ND 0.90H 0.10-A structural and thermal study

    NASA Astrophysics Data System (ADS)

    Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.

    2011-08-01

    The structure of calcium nitride hydride and its deuterided form has been re-examined at room temperature and studied at high temperature using neutron powder diffraction and thermal analysis. When synthesised at 600 °C, a mixture of both ordered and disordered Ca 2ND 0.90H 0.10 phases results. The disordered phase is the minor component and has a primitive rocksalt structure (spacegroup Fm3 m) with no ordering of D/N on the anion sites and the ordered phase is best described using the rhombohedral spacegroup R-3 m with D and N arranged in alternate layers in (111) planes. This mixture of ordered and disordered phases exists up to 580 °C, at which the loss of deuterium yields Ca 2ND 0.85 with the disappearance of the disordered phase. In the new ordered phase there exists a similar content of vacancies on both anion sites; to achieve this balance, a little N transfers onto the D site, whereas there is no indication of D transferring onto the N-sites. These observations are thought to indicate that the D/N ordering is difficult to achieve with fully occupied anion sites. It has previously been reported that Ca 2ND has an ordered cubic cell with alternating D and N sites in the [100] directions [1]; however, for the samples studied herein, there were clearly two coexisting phases with apparent broadening/splitting of the primitive peaks but not for the ordered peaks. The rhombohedral phase was in fact metrically cubic; however, all the observed peaks were consistent with the rhombohedral unit cell with no peaks requiring the larger ordered cubic unit cell to be utilised. Furthermore this rhombohedral cell displays the same form of N-D ordering as the Sr and Ba analogues, which are metrically rhombohedral.

  13. 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 (

  14. 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 (

  15. Surface-emitting quantum cascade laser with 2nd-order metal-semiconductor gratings for single-lobe emission

    NASA Astrophysics Data System (ADS)

    Boyle, C.; Sigler, C.; Kirch, J. D.; Lindberg, D.; Earles, T.; Botez, D.; Mawst, L. J.

    2016-03-01

    Grating-coupled, surface-emitting (GCSE) quantum-cascade lasers (QCLs) are demonstrated with high-power, single-lobe surface emission. A 2nd-order Au-semiconductor distributed-feedback (DFB)/ distributed-Bragg-reflector (DBR) grating is used for feedback and out-coupling. The DFB and DBR grating regions are 2.55 mm- and 1.28 mm-long, respectively, for a total grating length of 5.1 mm. The lasers are designed to operate in a symmetric longitudinal mode by causing resonant coupling of the guided optical mode to the antisymmetric surface-plasmon modes of the 2nd-order metal/semiconductor grating. In turn, the antisymmetric longitudinal modes are strongly absorbed by the metal in the grating, causing the symmetric longitudinal mode to be favored to lase, which produces a single lobe beam over a grating duty-cycle range of 36-41 %. Simulations indicate that the symmetric mode is always favored to lase, independent of the random phase of residual reflections from the device's cleaved ends. Peak pulsed output powers of ~ 0.4 W were measured with single-lobe, single-mode operation near 4.75 μm.

  16. 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.

  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. 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.

  19. Structural and magnetic study of order-disorder behavior in the double perovskites Ba2Nd1-xMnxMoO6.

    PubMed

    Coomer, Fiona C; Cussen, Edmund J

    2014-01-21

    The synthesis and structural and magnetic characterization of the site-ordered double perovskites, Ba2Nd1-xMnxMoO6, 0 < x ≤ 1, are reported in order to show the effect of doping Jahn-Teller active, S = 1/2, Mo(5+) into the structure of Ba2MnMoO6, which exhibits anomalous long-range antiferromagnetic order. Rietveld refinements against room temperature neutron powder diffraction data indicate that the tetragonal distortion present in the Ba2NdMoO6 end member persists to x ≤ 0.3. This is predominantly manifested as a tilting of the MO6 octahedra, and there is no evidence of any structural phase transitions on cooling to 1.5 K. For x > 0.3, no deviation from the ideal cubic Fm3̅m symmetry is observed. Furthermore, dc-susceptibility measurements confirm that Mn(2+) is being doped onto the Nd(3+) site, and the associated oxidation of Mo(5+) to Mo(6+). For all compositions, the Curie-Weiss paramagnetic behavior above 150 K indicates negative Weiss constants that range from -24(2) and -85(2) K. This net antiferromagnetic interaction is weakest when x ≈ 0.5, where the disorder in cation site occupancy and competition with ferromagnetic interactions is the greatest. Despite these strong antiferromagnetic interactions, there is no evidence in the dc-susceptibility of a bulk cancellation of spins for x > 0.05. Low-temperature neutron diffraction measurements indicate that there is no long-range magnetic order for 0.1 ≤ x < 0.9. Ba2Nd0.10Mn0.90MoO6 exhibits additional Bragg scattering at 2 K, indicative of long-range antiferromagnetic ordering of the Mn(2+) cations, with a propagation vector k = (1/2, 1/2, 1/2). The scattering intensities can be modeled using a noncollinear magnetic structure with the Mn(2+) moments orientated antiferromagnetically along the four different ⟨111⟩ directions. PMID:24392887

  20. DNS and LES of Turbulent Backward-Facing Step Flow Using 2ND-and 4TH-Order Discretization

    NASA Astrophysics Data System (ADS)

    Meri, Adnan; Wengle, Hans

    Results are presented from a Direct Numerical Simulation (DNS) and Large-Eddy Simulations (LES) of turbulent flow over a backward-facing step (Reh=3300) with a fully developed channel flow (Rcτ=180) utilized asatime-dependent inflow condition. Numerical solutions using a fourth-order compact (Hermitian) scheme, which was formulated directly for anon-equidistant and staggered grid in [1] are compared with numerical solutions using the classical second-order central scheme. There sults from LES (using the dynamic subgrid scale model) are evaluated against a corresponding DNS reference data set (fourth-order solution).

  1. 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

  2. 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.

  3. Improvement of Measurement Accuracy of Strain of Thin Film by CCD Camera with a Template Matching Method Using the 2ND-ORDER Polynomial Interpolation

    NASA Astrophysics Data System (ADS)

    Park, Jun-Hyub; Shin, Myung-Soo; Kang, Dong-Joong; Lim, Sung-Jo; Ha, Jong-Eun

    In this study, a system for non-contact in-situ measurement of strain during tensile test of thin films by using CCD camera with marking surface of specimen by black pen was implemented as a sensing device. To improve accuracy of measurement when CCD camera is used, this paper proposed a new method for measuring strain during tensile test of specimen with micrometer size. The size of pixel of CCD camera determines resolution of measurement, but the size of pixel can not satisfy the resolution required in tensile test of thin film because the extension of the specimen is very small during the tensile test. To increase resolution of measurement, the suggested method performs an accurate subpixel matching by applying 2nd order polynomial interpolation method to the conventional template matching. The algorithm was developed to calculate location of subpixel providing the best matching value by performing single dimensional polynomial interpolation from the results of pixel-based matching at a local region of image. The measurement resolution was less than 0.01 times of original pixel size. To verify the reliability of the system, the tensile test for the BeNi thin film was performed, which is widely used as a material in micro-probe tip. Tensile tests were performed and strains were measured using the proposed method and also the capacitance type displacement sensor for comparison. It is demonstrated that the new strain measurement system can effectively describe a behavior of materials after yield during the tensile test of the specimen at microscale with easy setup and better accuracy.

  4. Complete Hamiltonian analysis of cosmological perturbations at all orders

    NASA Astrophysics Data System (ADS)

    Nandi, Debottam; Shankaranarayanan, S.

    2016-06-01

    In this work, we present a consistent Hamiltonian analysis of cosmological perturbations at all orders. To make the procedure transparent, we consider a simple model and resolve the `gauge-fixing' issues and extend the analysis to scalar field models and show that our approach can be applied to any order of perturbation for any first order derivative fields. In the case of Galilean scalar fields, our procedure can extract constrained relations at all orders in perturbations leading to the fact that there is no extra degrees of freedom due to the presence of higher time derivatives of the field in the Lagrangian. We compare and contrast our approach to the Lagrangian approach (Chen et al. [2006]) for extracting higher order correlations and show that our approach is efficient and robust and can be applied to any model of gravity and matter fields without invoking slow-roll approximation.

  5. Stochastic systems with delay: Perturbation theory for second order statistics

    NASA Astrophysics Data System (ADS)

    Frank, T. D.

    2016-03-01

    Within the framework of delay Fokker-Planck equations, a perturbation theoretical method is developed to determine second-order statistical quantities such as autocorrelation functions for stochastic systems with delay. Two variants of the perturbation theoretical approach are presented. The first variant is based on a non-local Fokker-Planck operator. The second variant requires to solve a Fokker-Planck equation with source term. It is shown that the two variants yield consistent results. The perturbation theoretical approaches are applied to study negative autocorrelations that are induced by feedback delays and mediated by the strength of the fluctuating forces that act on the feedback systems.

  6. The Morse Oscillator and Second-Order Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Pettitt, B. A.

    1998-09-01

    This article shows how the energies of the Morse oscillator are obtained exactly from a second-order perturbation expansion in a harmonic oscillator basis. This exercise is recommended for its instructional value in intermediate quantum chemistry, in that the second-order term is entirely tractable, it arises within an important context (anharmonicity of vibrations), and it gives the right answer.

  7. 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.

  8. Nonperturbative Quantum Physics from Low-Order Perturbation Theory

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

    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.

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

    PubMed

    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., A3/A2, where A(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). PMID:26395687

  10. 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)

  11. 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.

  12. A High Order Perturbation Analysis of the Sitnikov Problem

    NASA Astrophysics Data System (ADS)

    Hagel, Johannes; Lhotka, Christoph

    2005-09-01

    The Sitnikov problem is one of the most simple cases of the elliptic restricted three body system. A massless body oscillates along a line (z) perpendicular to a plane (x,y) in which two equally massive bodies, called primary masses, perform Keplerian orbits around their common barycentre with a given eccentricity e. The crossing point of the line of motion of the third mass with the plane is equal to the centre of gravity of the entire system. In spite of its simple geometrical structure, the system is nonlinear and explicitly time dependent. It is globally non integrable and therefore represents an interesting application for advanced perturbative methods. In the present work a high order perturbation approach to the problem was performed, by using symbolic algorithms written in Mathematica. Floquet theory was used to derive solutions of the linearized equation up to 17th order in e. In this way precise analytical expressions for the stability of the system were obtained. Then, applying the Courant and Snyder transformation to the nonlinear equation, algebraic solutions of seventh order in z and e were derived using the method of Poincaré Lindstedt. The enormous amount of necessary computations were performed by extensive use of symbolic programming. We developed automated and highly modularized algorithms in order to master the problem of ordering an increasing number of algebraic terms originating from high order perturbation theory.

  13. 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

  14. High-order primordial perturbations with quantum gravitational effects

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    In this paper, we provide a systematic investigation of high-order primordial perturbations with nonlinear dispersion relations due to quantum gravitational effects in the framework of uniform asymptotic approximations. Because of these effects, the equation of motion of the mode function in general has multiple turning points. After obtaining analytically approximated solutions to any order in different regions, associated with different types of turning points, we match them to the third one. To this order the errors are less than 0.15%. General expressions of the power spectra of the primordial tensor and scalar perturbations are derived explicitly. We also investigate effects of backreactions of the quantum gravitational corrections, and make sure that inflation lasts long enough in order to solve the underlying problems, such as flatness, horizon, and monopole. Then we study various features of the spectra that are observationally relevant. In particular, under a moderate assumption about the energy scale of the underlying theory of quantum gravity, we have shown that the quantum gravitational effects may alter significantly the ratio between the tensor and scalar power spectra, thereby providing a natural mechanism to alleviate the tension between observations and certain inflationary models, including the one with a quadratic potential.

  15. Non-Gaussianity from the second-order cosmological perturbation

    NASA Astrophysics Data System (ADS)

    Lyth, David H.; Rodríguez, Yeinzon

    2005-06-01

    Several conserved and/or gauge-invariant quantities described as the second-order curvature perturbation have been given in the literature. We revisit various scenarios for the generation of second-order non-Gaussianity in the primordial curvature perturbation ζ, employing for the first time a unified notation and focusing on the normalization fNL of the bispectrum. When ζ first appears a few Hubble times after horizon exit, |fNL| is much less than 1 and is, therefore, negligible. Thereafter ζ (and hence fNL) is conserved as long as the pressure is a unique function of energy density (adiabatic pressure). Nonadiabatic pressure comes presumably only from the effect of fields, other than the one pointing along the inflationary trajectory, which are light during inflation (“light noninflaton fields”). During single-component inflation fNL is constant, but multicomponent inflation might generate |fNL|˜1 or bigger. Preheating can affect fNL only in atypical scenarios where it involves light noninflaton fields. The simplest curvaton scenario typically gives fNL≪-1 or fNL=+5/4. The inhomogeneous reheating scenario can give a wide range of values for fNL. Unless there is a detection, observation can eventually provide a limit |fNL|≲1, at which level it will be crucial to calculate the precise observational limit using second-order theory.

  16. Second order perturbations during inflation beyond slow-roll

    SciTech Connect

    Huston, Ian; Malik, Karim A. E-mail: k.malik@qmul.ac.uk

    2011-10-01

    We numerically calculate the evolution of second order cosmological perturbations for an inflationary scalar field without resorting to the slow-roll approximation or assuming large scales. In contrast to previous approaches we therefore use the full non-slow-roll source term for the second order Klein-Gordon equation which is valid on all scales. The numerical results are consistent with the ones obtained previously where slow-roll is a good approximation. We investigate the effect of localised features in the scalar field potential which break slow-roll for some portion of the evolution. The numerical package solving the second order Klein-Gordon equation has been released under an open source license and is available for download.

  17. Second-order perturbation theory: Problems on large scales

    NASA Astrophysics Data System (ADS)

    Pound, Adam

    2015-11-01

    In general-relativistic perturbation theory, a point mass accelerates away from geodesic motion due to its gravitational self-force. Because the self-force is small, one can often approximate the motion as geodesic. However, it is well known that self-force effects accumulate over time, making the geodesic approximation fail on long time scales. It is less well known that this failure at large times translates to a failure at large distances as well. At second perturbative order, two large-distance pathologies arise: spurious secular growth and infrared-divergent retarded integrals. Both stand in the way of practical computations of second-order self-force effects. Utilizing a simple flat-space scalar toy model, I develop methods to overcome these obstacles. The secular growth is tamed with a multiscale expansion that captures the system's slow evolution. The divergent integrals are eliminated by matching to the correct retarded solution at large distances. I also show how to extract conservative self-force effects by taking local-in-time "snapshots" of the global solution. These methods are readily adaptable to the physically relevant case of a point mass orbiting a black hole.

  18. A new approach for second-order perturbation theory.

    PubMed

    Tomlinson, David G; Asadchev, Andrey; Gordon, Mark S

    2016-05-30

    A new second-order perturbation theory (MP2) approach is presented for closed shell energy evaluations. The new algorithm has a significantly lower memory footprint, a lower FLOP (floating point operations) count, and a lower time to solution compared to previously implemented parallel MP2 methods in the GAMESS software package. Additionally, this algorithm features an adaptive approach for the disk/distributed memory storage of the MP2 amplitudes. The algorithm works well on a single workstation, small cluster, and large Cray cluster, and it allows one to perform large calculations with thousands of basis functions in a matter of hours on a single workstation. The same algorithm has been adapted for graphical processing unit (GPU) architecture. The performance of the new GPU algorithm is also discussed. © 2016 Wiley Periodicals, Inc. PMID:26940648

  19. Second-order perturbative calculation of hydrogenic Zeeman levels

    SciTech Connect

    Chen, A.C.

    1984-04-01

    The degenerate perturbative treatment of the hydrogenic Zeeman problem is put on a more rigorous basis and is extended to higher levels belonging to the manifolds of M = n-Vertical BarmVertical Bar< or =4 basis states. The 16 n = 4 levels are calculated and the large-n behavior of the basis states is discussed.

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

    ScienceCinema

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

    2010-01-08

    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.

  1. 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.

  2. 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.

  3. Revisiting Hartle's model using perturbed matching theory to second order: amending the change in mass

    NASA Astrophysics Data System (ADS)

    Reina, Borja; Vera, Raül

    2015-08-01

    Hartle's model describes the equilibrium configuration of a rotating isolated compact body in perturbation theory up to second order in general relativity. The interior of the body is a perfect fluid with a barotropic equation of state, no convective motions and rigid rotation. That interior is matched across its surface to an asymptotically flat vacuum exterior. Perturbations are taken to second order around a static and spherically symmetric background configuration. Apart from the explicit assumptions, the perturbed configuration is constructed upon some implicit premises, in particular the continuity of the functions describing the perturbation in terms of some background radial coordinate. In this work we revisit the model within a modern general and consistent theory of perturbative matchings to second order, which is independent of the coordinates and gauges used to describe the two regions to be joined. We explore the matching conditions up to second order in full. The main particular result we present is that the radial function m0 (in the setting of the original work) of the second order perturbation tensor, contrary to the original assumption, presents a jump at the surface of the star, which is proportional to the value of the energy density of the background configuration there. As a consequence, the change in mass δ M needed by the perturbed configuration to keep the value of the central energy density unchanged must be amended. We also discuss some subtleties that arise when studying the deformation of the star.

  4. Second-Order Gauge Invariant Cosmological Perturbation Theory --- Einstein Equations in Terms of Gauge Invariant Variables ---

    NASA Astrophysics Data System (ADS)

    Nakamura, K.

    2007-01-01

    Following the general framework of the gauge invariant perturbation theory developed in the papers [K. Nakamura, Prog. Theor. Phys. 110 (2003), 723; ibid. 113 (2005), 481], we formulate second-order gauge invariant cosmological perturbation theory in a four-dimensional homogeneous isotropic universe. We consider perturbations both in the universe dominated by a single perfect fluid and in that dominated by a single scalar field. We derive all the components of the Einstein equations in the case that the first-order vector and tensor modes are negligible. All equations are derived in terms of gauge invariant variables without any gauge fixing. These equations imply that second-order vector and tensor modes may be generated due to the mode-mode coupling of the linear-order scalar perturbations. We also briefly discuss the main progress of this work through comparison with previous works.

  5. Vector and tensor contributions to the curvature perturbation at second order

    NASA Astrophysics Data System (ADS)

    Carrilho, Pedro; Malik, Karim A.

    2016-02-01

    We derive the evolution equation for the second order curvature perturbation using standard techniques of cosmological perturbation theory. We do this for different definitions of the gauge invariant curvature perturbation, arising from different splits of the spatial metric, and compare the expressions. The results are valid at all scales and include all contributions from scalar, vector and tensor perturbations, as well as anisotropic stress, with all our results written purely in terms of gauge invariant quantities. Taking the large-scale approximation, we find that a conserved quantity exists only if, in addition to the non-adiabatic pressure, the transverse traceless part of the anisotropic stress tensor is also negligible. We also find that the version of the gauge invariant curvature perturbation which is exactly conserved is the one defined with the determinant of the spatial part of the inverse metric.

  6. 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.

  7. 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.

  8. Laplace homotopy perturbation method for Burgers equation with space- and time-fractional order

    NASA Astrophysics Data System (ADS)

    Johnston, S. J.; Jafari, H.; Moshokoa, S. P.; Ariyan, V. M.; Baleanu, D.

    2016-07-01

    The fractional Burgers equation describes the physical processes of unidirectional propagation of weakly nonlinear acoustic waves through a gas-filled pipe. The Laplace homotopy perturbation method is discussed to obtain the approximate analytical solution of space-fractional and time-fractional Burgers equations. The method used combines the Laplace transform and the homotopy perturbation method. Numerical results show that the approach is easy to implement and accurate when applied to partial differential equations of fractional orders.

  9. High-order azimuthal instabilities on a cylindrical liquid jet driven by temporal and spatial perturbations

    NASA Astrophysics Data System (ADS)

    Dressler, John L.

    1998-09-01

    A method has been developed to drive a cylindrical liquid jet unstable for deformations with axial wavelengths shorter than the circumference of the jet and azimuthal mode numbers greater than 0. The benefit of this method is that a cylindrical liquid jet can be broken into a spray with an average diameter smaller than the diameter of the initial jet. The higher-order instabilities were created by establishing initial conditions for the jet in space and time at the nozzle. An electromechanical transducer creates the applied temporal initial condition which is a sinusoidally varying velocity perturbation added to the steady velocity of the jet. The amplitude of the velocity perturbation can be as large as the jet's steady velocity and the energy in the applied velocity perturbation drives the instability. The spatial perturbation is created by placing perturbations in the circumference of the nozzle. As the velocity perturbation travels on the jet, its leading edge steepens and the trailing edge broadens in a manner analogous to the steepening of a pressure pulse in a compressible gas. If the driven velocity perturbation is sufficiently large, a shock or jump forms on the leading edge of the velocity pulse and the jet may break up into higher-order modes. A theoretical analysis of the breakup process, based on an adaptation of compressible fluid shock theory, is used to derive a fundamental lower bound on the spray's Sauter mean diameter as a function of the velocity perturbation amplitude. Techniques for approaching the theoretical minimum spray diameter by using the higher-order modes to atomize liquid jets are discussed.

  10. Determination of αs(Mτ2) from improved fixed order perturbation theory

    NASA Astrophysics Data System (ADS)

    Abbas, Gauhar; Ananthanarayan, B.; Caprini, Irinel

    2012-05-01

    We revisit the extraction of αs(Mτ2) from the QCD perturbative corrections to the hadronic τ branching ratio, using an improved fixed-order perturbation theory based on the explicit summation of all renormalization-group accessible logarithms, proposed some time ago in the literature. In this approach, the powers of the coupling in the expansion of the QCD Adler function are multiplied by a set of functions Dn, which depend themselves on the coupling and can be written in a closed form by iteratively solving a sequence of differential equations. We find that the new expansion has an improved behavior in the complex energy plane compared to that of the standard fixed-order perturbation theory (FOPT), and is similar but not identical to the contour-improved perturbation theory (CIPT). With five terms in the perturbative expansion we obtain in the MS¯ scheme αs(Mτ2)=0.338±0.010, using as input a precise value for the perturbative contribution to the hadronic width of the τ lepton reported recently in the literature.

  11. 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.

  12. 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

  13. 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.

  14. The effect of problem perturbations on nonlinear dynamical systems and their reduced order models

    SciTech Connect

    Serban, R; Homescu, C; Petzold, L

    2005-03-03

    Reduced order models are used extensively in many areas of science and engineering for simulation, design, and control. Reduction techniques for nonlinear dynamical systems produce models that depend strongly on the nominal set of parameters for which the reduction is carried out. In this paper we address the following two questions: 'What is the effect of perturbations in the problem parameters on the output functional of a nonlinear dynamical system?' and 'To what extent does the reduced order model capture this effect?'

  15. Self-consistent second-order Green's function perturbation theory for periodic systems

    NASA Astrophysics Data System (ADS)

    Rusakov, Alexander A.; Zgid, Dominika

    2016-02-01

    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.

  16. 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…

  17. 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*.

  18. On The Choice of a Zeroth-Order Hamiltonian for Second-Order Perturbation Theory with A CASSCF Reference Function

    NASA Technical Reports Server (NTRS)

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

    1994-01-01

    A new approach to perturbation theory based on a CASSCF reference function has been developed. The key to the approach is the definition of the zeroth order Hamiltonian, H(sub 0), which includes the full CI Hamiltonian for the active space. In the the inactive and secondary spaces, operators may be chosen which reduce to the usual Moller-Plesset or Epstein-Nesbet forms in the limit of a null active space. These operators are diagonal in the orbital indices and permit the block-diagonalization of H(sub 0). The reference is an eigenfunction of Ho without N-particle projection. H(sub 0) automatically incorporates denominator shifts in the style of those appearing in recent open-shell perturbation theories. Comparative results are presented for a few test cases.

  19. Fourth order expansions of the luni-solar gravity perturbations along rotating axes for trajectory optimization

    NASA Astrophysics Data System (ADS)

    Kéchichian, Jean A.

    2011-09-01

    A fourth order extension of the analytic form of the accelerations due to the luni-solar gravity perturbations along rotating axes is presented. These derivations are carried out in order to increase the accuracy of the dynamic modeling of perturbed optimal low-thrust transfers between general elliptic orbits, and enhance the fidelity of trajectory optimization software used in simulations and mission analyses. A set of rotating axes attached to the thrusting spacecraft is used such that both the thrust and perturbation accelerations due to Earth's geopotential and the luni-solar gravity are mathematically resolved along these axes prior to numerical integration of the actual trajectory. This Gaussian form of the state as well as the adjoint differential equations form a set of equations that are readily integrated and an iterative process is used to achieve convergence to a desired transfer. This analysis further reveals that further extensions to higher orders, say to the fifth order and beyond, are not needed to extract even more accuracy in the solutions because the minimum-time transfer solutions become fully stabilized in the sense that they do not exhibit any differences beyond a fraction of a second, or at most a few seconds even in the more extreme cases of very large orbits with apogee heights around 100,000 km with strong lunar influence.

  20. Application of adomian decomposition method for singularly perturbed fourth order boundary value problems

    NASA Astrophysics Data System (ADS)

    Deniz, Sinan; Bildik, Necdet

    2016-06-01

    In this paper, we use Adomian Decomposition Method (ADM) to solve the singularly perturbed fourth order boundary value problem. In order to make the calculation process easier, first the given problem is transformed into a system of two second order ODEs, with suitable boundary conditions. Numerical illustrations are given to prove the effectiveness and applicability of this method in solving these kinds of problems. Obtained results shows that this technique provides a sequence of functions which converges rapidly to the accurate solution of the problems.

  1. Fourth order solutions of singularly perturbed boundary value problems by quarter-sweep iteration

    NASA Astrophysics Data System (ADS)

    Sulaiman, J.; Hasan, M. K.; Othman, M.; Abdul Karim, S. A.

    2013-04-01

    In previous studies, the effectiveness of the second-order quarter-sweep finite difference approximation equations has been shown in solving singularly perturbed boundary value problems. In this paper, however, we investigate the application of the fourth-order quarter-sweep finite difference approximation equation based on the fourth-order standard central difference scheme. To solve the problems numerically, discretization of the singularly perturbed problems via second-order and fourth-order finite difference schemes is proposed to form the corresponding system of linear algebraic equations. For comparison purpose, we also discuss on how to derive the basic formulation and implementation for the family of Successive Over-Relaxation (SOR) iterative methods such as FSSOR, HSSOR and QSSOR in solving the corresponding linear systems generated from the fourth-order discretization schemes based on full, half- and quarter-sweep cases. Some numerical tests were conducted to show that the accuracy of fourth-order finite difference schemes via the corresponding GS methods is more accurate than second-order schemes.

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

    NASA Astrophysics Data System (ADS)

    Noh, Hyerim; Hwang, Jai-chan; Park, Chan-Gyung

    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.

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

    SciTech Connect

    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.

  4. 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. PMID:27276688

  5. 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. PMID:19045259

  6. 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).

  7. Efficient configuration selection scheme for vibrational second-order perturbation theory

    NASA Astrophysics Data System (ADS)

    Yagi, Kiyoshi; Hirata, So; Hirao, Kimihiko

    2007-07-01

    A fast algorithm of vibrational second-order Møller-Plesset perturbation theory is proposed, enabling a substantial reduction in the number of vibrational self-consistent-field (VSCF) configurations that need to be summed in the calculations. Important configurations are identified a priori by assuming that a reference VSCF wave function is approximated well by harmonic oscillator wave functions and that fifth- and higher-order anharmonicities are negligible. The proposed scheme has reduced the number of VSCF configurations by more than 100 times for formaldehyde, ethylene, and furazan with an error in computed frequencies being not more than a few cm-1.

  8. Efficient configuration selection scheme for vibrational second-order perturbation theory.

    PubMed

    Yagi, Kiyoshi; Hirata, So; Hirao, Kimihiko

    2007-07-21

    A fast algorithm of vibrational second-order Moller-Plesset perturbation theory is proposed, enabling a substantial reduction in the number of vibrational self-consistent-field (VSCF) configurations that need to be summed in the calculations. Important configurations are identified a priori by assuming that a reference VSCF wave function is approximated well by harmonic oscillator wave functions and that fifth- and higher-order anharmonicities are negligible. The proposed scheme has reduced the number of VSCF configurations by more than 100 times for formaldehyde, ethylene, and furazan with an error in computed frequencies being not more than a few cm(-1). PMID:17655435

  9. First-order Cosmological Perturbations Engendered by Point-like Masses

    NASA Astrophysics Data System (ADS)

    Eingorn, Maxim

    2016-07-01

    In the framework of the concordance cosmological model, the first-order scalar and vector perturbations of the homogeneous background are derived in the weak gravitational field limit without any supplementary approximations. The sources of these perturbations (inhomogeneities) are presented in the discrete form of a system of separate point-like gravitating masses. The expressions found for the metric corrections are valid at all (sub-horizon and super-horizon) scales and converge at all points except at the locations of the sources. The average values of these metric corrections are zero (thus, first-order backreaction effects are absent). Both the Minkowski background limit and the Newtonian cosmological approximation are reached under certain well-defined conditions. An important feature of the velocity-independent part of the scalar perturbation is revealed: up to an additive constant, this part represents a sum of Yukawa potentials produced by inhomogeneities with the same finite time-dependent Yukawa interaction range. The suggested connection between this range and the homogeneity scale is briefly discussed along with other possible physical implications.

  10. Lagrangian perturbations and the matter bispectrum I: fourth-order model for non-linear clustering

    SciTech Connect

    Rampf, Cornelius; Buchert, Thomas E-mail: buchert@obs.univ-lyon1.fr

    2012-06-01

    We investigate the Lagrangian perturbation theory of a homogeneous and isotropic universe in the non-relativistic limit, and derive the solutions up to the fourth order. These solutions are needed for example for the next-to-leading order correction of the (resummed) Lagrangian matter bispectrum, which we study in an accompanying paper. We focus on flat cosmologies with a vanishing cosmological constant, and provide an in-depth description of two complementary approaches used in the current literature. Both approaches are solved with two different sets of initial conditions — both appropriate for modelling the large-scale structure. Afterwards we consider only the fastest growing mode solution, which is not affected by either of these choices of initial conditions. Under the reasonable approximation that the linear density contrast is evaluated at the initial Lagrangian position of the fluid particle, we obtain the nth-order displacement field in the so-called initial position limit: the nth order displacement field consists of 3(n-1) integrals over n linear density contrasts, and obeys self-similarity. Then, we find exact relations between the series in Lagrangian and Eulerian perturbation theory, leading to identical predictions for the density contrast and the peculiar-velocity divergence up to the fourth order.

  11. 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

  12. 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.

  13. Lagrangian theory of structure formation in relativistic cosmology. III. Gravitoelectric perturbation and solution schemes at any order

    NASA Astrophysics Data System (ADS)

    Alles, Alexandre; Buchert, Thomas; Al Roumi, Fosca; Wiegand, Alexander

    2015-07-01

    The relativistic generalization of the Newtonian Lagrangian perturbation theory is investigated. In previous works, the first-order trace solutions that are generated by the spatially projected gravitoelectric part of the Weyl tensor were given together with extensions and applications for accessing the nonperturbative regime. We furnish here construction rules to obtain from Newtonian solutions the gravitoelectric class of relativistic solutions, for which we give the complete perturbation and solution schemes at any order of the perturbations. By construction, these schemes generalize the complete hierarchy of solutions of the Newtonian Lagrangian perturbation theory.

  14. High-order terms in the renormalized perturbation theory for the Anderson impurity model

    NASA Astrophysics Data System (ADS)

    Pandis, Vassilis; Hewson, Alex C.

    2015-09-01

    We study the renormalized perturbation theory of the single-impurity Anderson model, particularly the high-order terms in the expansion of the self-energy in powers of the renormalized coupling U ˜. Though the presence of counterterms in the renormalized theory may appear to complicate the diagrammatics, we show how these can be seamlessly accommodated by carrying out the calculation order-by-order in terms of skeleton diagrams. We describe how the diagrams pertinent to the renormalized self-energy and four vertex can be automatically generated, translated into integrals, and numerically integrated. To maximize the efficiency of our approach we introduce a generalized k -particle/hole propagator, which is used to analytically simplify the resultant integrals and reduce the dimensionality of the integration. We present results for the self-energy and spectral density to fifth order in U ˜, for various values of the model asymmetry, and compare them to a numerical renormalization group calculation.

  15. 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.

  16. Macroscopic order in a nematic liquid crystal: Perturbation by spontaneous director fluctuations.

    PubMed

    Hamasuna, Daichi; Hashim, Rauzah; Kasatani, Atsuhiro; Luckhurst, Geoffrey R; Sugimura, Akihiko; Timimi, Bakir A; Zimmermann, Herbert

    2015-06-01

    The dynamic alignment of the nematic director by near-orthogonal electric and magnetic fields has been investigated. The intermediate states during the relaxation process were found, with the aid of time-resolved deuterium NMR spectroscopy, to be markedly nonuniform. The macroscopic order was perturbed, although the initial and final states of the director appear to be essentially uniform. However, the initial state does have a profound influence on the uniformity of the director in the intermediate states. We have developed a fundamental model based on the effect of spontaneous director fluctuations to explain these unusual NMR observations. PMID:26172726

  17. Process-chain approach to high-order perturbation calculus for quantum lattice models

    SciTech Connect

    Eckardt, Andre

    2009-05-15

    A method based on Rayleigh-Schroedinger perturbation theory is developed that allows to obtain high-order series expansions for ground-state properties of quantum lattice models. The approach is capable of treating both lattice geometries of large spatial dimensionalities d and on-site degrees of freedom with large state space dimensionalities. It has recently been used to accurately compute the zero-temperature phase diagram of the Bose-Hubbard model on a hypercubic lattice, up to arbitrary large filling and for d=2, 3, and greater [Teichmann et al., Phys. Rev. B 79, 100503(R) (2009)].0.

  18. Bifurcation and chaos in a perturbed soliton equation with higher-order nonlinearity

    NASA Astrophysics Data System (ADS)

    Yu, Jun; Zhang, Rongbo; Jin, Guojuan

    2011-12-01

    The influence of a soliton system under external perturbation is considered. We take the compound Korteweg-de Vries-Burgers-type equation with nonlinear terms of any order as an example, and investigate numerically the chaotic behavior of the system with periodic forcing. It is shown that dynamical chaos can occur when we appropriately choose system parameters. Abundant bifurcation structures and different routes to chaos, such as period doubling, intermittent bifurcation and crisis, are found by applying bifurcation diagrams, Poincaré maps and phase portraits. To characterize the chaotic behavior of this system, a spectrum of Lyapunov exponents and Lyapunov dimensions of attractors are also employed.

  19. Communication: Explicitly correlated four-component relativistic second-order Møller-Plesset perturbation theory.

    PubMed

    Ten-no, Seiichiro; Yamaki, Daisuke

    2012-10-01

    We propose explicitly correlated Ansatz for four-component relativistic methods within the framework of the no-pair approximation. Kinetically balanced geminal basis is derived to satisfy the cusp conditions in the non-relativistic limit based on the Lévy-Leblend-like equation. Relativistic variants of strong-orthogonality projection operator (Ansätze 2α and 2β) suitable for practical calculations are introduced by exploiting the orthogonal complement of the large-component basis. A pilot implementation is performed for the second order Møller-Plesset perturbation theory. PMID:23039576

  20. Block correlated second order perturbation theory with a generalized valence bond reference function

    SciTech Connect

    Xu, Enhua; Li, Shuhua

    2013-11-07

    The block correlated second-order perturbation theory with a generalized valence bond (GVB) reference (GVB-BCPT2) is proposed. In this approach, each geminal in the GVB reference is considered as a “multi-orbital” block (a subset of spin orbitals), and each occupied or virtual spin orbital is also taken as a single block. The zeroth-order Hamiltonian is set to be the summation of the individual Hamiltonians of all blocks (with explicit two-electron operators within each geminal) so that the GVB reference function and all excited configuration functions are its eigenfunctions. The GVB-BCPT2 energy can be directly obtained without iteration, just like the second order Møller–Plesset perturbation method (MP2), both of which are size consistent. We have applied this GVB-BCPT2 method to investigate the equilibrium distances and spectroscopic constants of 7 diatomic molecules, conformational energy differences of 8 small molecules, and bond-breaking potential energy profiles in 3 systems. GVB-BCPT2 is demonstrated to have noticeably better performance than MP2 for systems with significant multi-reference character, and provide reasonably accurate results for some systems with large active spaces, which are beyond the capability of all CASSCF-based methods.

  1. First order perturbations of the Einstein-Straus and Oppenheimer-Snyder models

    SciTech Connect

    Mars, Marc; Mena, Filipe C.; Vera, Rauel

    2008-10-15

    We derive the linearly perturbed matching conditions between a Schwarzschild spacetime region with stationary and axially symmetric perturbations and a Friedmann-Lemaitre-Robertson-Walker (FLRW) spacetime with arbitrary perturbations. The matching hypersurface is also perturbed arbitrarily and, in all cases, the perturbations are decomposed into scalars using the Hodge operator on the sphere. This allows us to write down the matching conditions in a compact way. In particular, we find that the existence of a perturbed (rotating, stationary, and vacuum) Schwarzschild cavity in a perturbed FLRW universe forces the cosmological perturbations to satisfy constraints that link rotational and gravitational wave perturbations. We also prove that if the perturbation on the FLRW side vanishes identically, then the vacuole must be perturbatively static and hence Schwarzschild. By the dual nature of the problem, the first result translates into links between rotational and gravitational wave perturbations on a perturbed Oppenheimer-Snyder model, where the perturbed FLRW dust collapses in a perturbed Schwarzschild environment which rotates in equilibrium. The second result implies, in particular, that no region described by FLRW can be a source of the Kerr metric.

  2. First order perturbations of the Einstein-Straus and Oppenheimer-Snyder models

    NASA Astrophysics Data System (ADS)

    Mars, Marc; Mena, Filipe C.; Vera, Raül

    2008-10-01

    We derive the linearly perturbed matching conditions between a Schwarzschild spacetime region with stationary and axially symmetric perturbations and a Friedmann-Lemaître-Robertson-Walker (FLRW) spacetime with arbitrary perturbations. The matching hypersurface is also perturbed arbitrarily and, in all cases, the perturbations are decomposed into scalars using the Hodge operator on the sphere. This allows us to write down the matching conditions in a compact way. In particular, we find that the existence of a perturbed (rotating, stationary, and vacuum) Schwarzschild cavity in a perturbed FLRW universe forces the cosmological perturbations to satisfy constraints that link rotational and gravitational wave perturbations. We also prove that if the perturbation on the FLRW side vanishes identically, then the vacuole must be perturbatively static and hence Schwarzschild. By the dual nature of the problem, the first result translates into links between rotational and gravitational wave perturbations on a perturbed Oppenheimer-Snyder model, where the perturbed FLRW dust collapses in a perturbed Schwarzschild environment which rotates in equilibrium. The second result implies, in particular, that no region described by FLRW can be a source of the Kerr metric.

  3. Superosculating intermediate orbits: Fourth-and fifth-order tangencies to trajectories of perturbed motion

    NASA Astrophysics Data System (ADS)

    Shefer, V. A.

    2006-12-01

    The theory of superosculating intermediate orbits previously suggested by the author is developed. A new class of orbits with a fourth-order tangency to the actual trajectory of a celestial body at the initial time is constructed. Orbits with a fifth-order tangency have been constructed for the first time. The motion in the constructed orbits is represented as a combination of two motions: the motion of a fictitious attracting center with a variable mass and the motion relative to this center. The first motion is generally parabolic, while the second motion is described by the equations of the Gylden—Mestschersky problem. The variation in the mass of the fictitious center obeys Mestschersky’s first and combined laws. The new orbits represent more accurately the actual motion in the initial segment of the trajectory than an osculating Keplerian orbit and other existing analogues. Encke’s generalized methods of special perturbations in which the constructed intermediate orbits are used as reference orbits are presented. Numerical simulations using the approximations of the motions of Asteroid Toutatis and Comet P/Honda—Mrkos—Pajdušáková as examples confirm that the constructed orbits are highly efficient. Their application is particularly beneficial in investigating strongly perturbed motion.

  4. 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.

  5. Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks

    NASA Astrophysics Data System (ADS)

    Ren, Xinguo; Rinke, Patrick; Scuseria, Gustavo E.; Scheffler, Matthias

    2013-07-01

    We present a renormalized second-order perturbation theory (rPT2), based on a Kohn-Sham (KS) reference state, for the electron correlation energy that includes the random-phase approximation (RPA), second-order screened exchange (SOSEX), and renormalized single excitations (rSE). These three terms all involve a summation of certain types of diagrams to infinite order, and can be viewed as ``renormalization'' of the second-order direct, exchange, and single-excitation (SE) terms of Rayleigh-Schrödinger perturbation theory based on a KS reference. In this work, we establish the concept of rPT2 and present the numerical details of our SOSEX and rSE implementations. A preliminary version of rPT2, in which the renormalized SE (rSE) contribution was treated approximately, has already been benchmarked for molecular atomization energies and chemical reaction barrier heights and shows a well-balanced performance [J. Paier , New J. Phys.1367-263010.1088/1367-2630/14/4/043002 14, 043002 (2012)]. In this work, we present a refined version of rPT2, in which we evaluate the rSE series of diagrams rigorously. We then extend the benchmark studies to noncovalent interactions, including the rare-gas dimers, and the S22 and S66 test sets, as well as the cohesive energy of small copper clusters, and the equilibrium geometry of 10 diatomic molecules. Despite some remaining shortcomings, we conclude that rPT2 gives an overall satisfactory performance across different electronic situations, and is a promising step towards a generally applicable electronic-structure approach.

  6. Nonlinear waves in second order conformal hydrodynamics

    NASA Astrophysics Data System (ADS)

    Fogaça, D. A.; Marrochio, H.; Navarra, F. S.; Noronha, J.

    2015-02-01

    In this work we study wave propagation in dissipative relativistic fluids described by a simplified set of the 2nd order viscous conformal hydrodynamic equations corresponding to Israel-Stewart theory. Small amplitude waves are studied within the linearization approximation while waves with large amplitude are investigated using the reductive perturbation method, which is generalized to the case of 2nd order relativistic hydrodynamics. Our results indicate the presence of a "soliton-like" wave solution in Israel-Stewart hydrodynamics despite the presence of dissipation and relaxation effects.

  7. 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.

  8. 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.

  9. 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.

  10. Expansions of τ hadronic spectral function moments in a nonpower QCD perturbation theory with tamed large order behavior

    NASA Astrophysics Data System (ADS)

    Abbas, Gauhar; Ananthanarayan, B.; Caprini, Irinel; Fischer, Jan

    2013-08-01

    The moments of the hadronic spectral functions are of interest for the extraction of the strong coupling αs and other QCD parameters from the hadronic decays of the τ lepton. Motivated by the recent analyses of a large class of moments in the standard fixed-order and contour-improved perturbation theories, we consider the perturbative behavior of these moments in the framework of a QCD nonpower perturbation theory, defined by the technique of series acceleration by conformal mappings, which simultaneously implements renormalization-group summation and has a tame large-order behavior. Two recently proposed models of the Adler function are employed to generate the higher-order coefficients of the perturbation series and to predict the exact values of the moments, required for testing the properties of the perturbative expansions. We show that the contour-improved nonpower perturbation theories and the renormalization-group-summed nonpower perturbation theories have very good convergence properties for a large class of moments of the so-called “reference model,” including moments that are poorly described by the standard expansions. The results provide additional support for the plausibility of the description of the Adler function in terms of a small number of dominant renormalons.

  11. 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.

  12. Testing higher-order Lagrangian perturbation theory against numerical simulations. 2: Hierarchical models

    NASA Technical Reports Server (NTRS)

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

    1995-01-01

    We present results showing an improvement of the accuracy of perturbation theory as applied to cosmological structure formation for a useful range of scales. The Lagrangian theory of gravitational instability of Friedmann-Lemaitre cosmogonies is compared with numerical simulations. We study the dynamics of hierarchical models as a second step. In the first step we analyzed the performance of the Lagrangian schemes for pancake models, the difference being that in the latter models the initial power spectrum is truncated. This work probed the quasi-linear and weakly non-linear regimes. We here explore whether the results found for pancake models carry over to hierarchical models which are evolved deeply into the non-linear regime. We smooth the initial data by using a variety of filter types and filter scales in order to determine the optimal performance of the analytical models, as has been done for the 'Zel'dovich-approximation' - hereafter TZA - in previous work. We find that for spectra with negative power-index the second-order scheme performs considerably better than TZA in terms of statistics which probe the dynamics, and slightly better in terms of low-order statistics like the power-spectrum. However, in contrast to the results found for pancake models, where the higher-order schemes get worse than TZA at late non-linear stages and on small scales, we here find that the second-order model is as robust as TZA, retaining the improvement at later stages and on smaller scales. In view of these results we expect that the second-order truncated Lagrangian model is especially useful for the modelling of standard dark matter models such as Hot-, Cold-, and Mixed-Dark-Matter.

  13. 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.

  14. Second-order many-body perturbation study on thermal expansion of solid carbon dioxide.

    PubMed

    Li, Jinjin; Sode, Olaseni; Hirata, So

    2015-01-13

    An embedded-fragment ab initio second-order many-body perturbation (MP2) method is applied to an infinite three-dimensional crystal of carbon dioxide phase I (CO2-I), using the aug-cc-pVDZ and aug-cc-pVTZ basis sets, the latter in conjunction with a counterpoise correction for the basis-set superposition error. The equation of state, phonon frequencies, bulk modulus, heat capacity, Grüneisen parameter (including mode Grüneisen parameters for acoustic modes), thermal expansion coefficient (α), and thermal pressure coefficient (β) are computed. Of the factors that enter the expression of α, MP2 reproduces the experimental values of the heat capacity, Grüneisen parameter, and molar volume accurately. However, it proves to be exceedingly difficult to determine the remaining factor, the bulk modulus (B0), the computed value of which deviates from the observed value by 50-100%. As a result, α calculated by MP2 is systematically too low, while having the correct temperature dependence. The thermal pressure coefficient, β = αB0, which is independent of B0, is more accurately reproduced by theory up to 100 K. PMID:26574220

  15. 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.

    2016-07-01

    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.

  16. Second order Møller-Plesset perturbation theory based upon the fragment molecular orbital method

    NASA Astrophysics Data System (ADS)

    Fedorov, Dmitri G.; Kitaura, Kazuo

    2004-08-01

    The fragment molecular orbital (FMO) method was combined with the second order Møller-Plesset (MP2) perturbation theory. The accuracy of the method using the 6-31G* basis set was tested on (H2O)n, n=16,32,64; α-helices and β-strands of alanine n-mers, n=10,20,40; as well as on (H2O)n, n=16,32,64 using the 6-31++G** basis set. Relative to the regular MP2 results that could be afforded, the FMO2-MP2 error in the correlation energy did not exceed 0.003 a.u., the error in the correlation energy gradient did not exceed 0.000 05 a.u./bohr and the error in the correlation contribution to dipole moment did not exceed 0.03 debye. An approximation reducing computational load based on fragment separation was introduced and tested. The FMO2-MP2 method demonstrated nearly linear scaling and drastically reduced the memory requirements of the regular MP2, making possible calculations with several thousands basis functions using small Pentium clusters. As an example, (H2O)64 with the 6-31++G** basis set (1920 basis functions) can be run in 1 Gbyte RAM and it took 136 s on a 40-node Pentium4 cluster.

  17. Second-order many-body perturbation study of ice Ih.

    PubMed

    He, Xiao; Sode, Olaseni; Xantheas, Sotiris S; Hirata, So

    2012-11-28

    Ice Ih is arguably the most important molecular crystal in nature, yet our understanding of its structural and dynamical properties is still far from complete. We present embedded-fragment calculations of the structures and vibrational spectra of the three-dimensional, proton-disordered phase of ice Ih performed at the level of second-order many-body perturbation theory with a basis-set superposition error correction. Our calculations address previous controversies such as the one related to the O-H bond length as well as the existence of two types of hydrogen bonds with strengths differing by a factor of two. For the latter, our calculations suggest that the observed spectral features arise from the directionality or the anisotropy of collective hydrogen-bond stretching vibrations rather than the previously suggested vastly different force constants. We also report a capability to efficiently compute infrared and Raman intensities of a periodic solid. Our approach reproduces the infrared and Raman spectra, the variation of inelastic neutron scattering spectra with deuterium concentration, and the anomaly of heat capacities at low temperatures for ice Ih. PMID:23206017

  18. 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

  19. 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.

  20. An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

    We report an efficient implementation of a second-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT2) [C. Li and F. A. Evangelista, J. Chem. Theory Comput. 11, 2097 (2015)]. Our implementation employs factorized two-electron integrals to avoid storage of large four-index intermediates. It also exploits the block structure of the reference density matrices to reduce the computational cost to that of second-order Møller-Plesset perturbation theory. Our new DSRG-MRPT2 implementation is benchmarked on ten naphthyne isomers using basis sets up to quintuple-ζ quality. We find that the singlet-triplet splittings (ΔST) of the naphthyne isomers strongly depend on the equilibrium structures. For a consistent set of geometries, the ΔST values predicted by the DSRG-MRPT2 are in good agreements with those computed by the reduced multireference coupled cluster theory with singles, doubles, and perturbative triples.

  1. The effect of perturbations on resistance to sliding in second-order moments comparing two different bracket types.

    PubMed

    Wong, Justin K; Romanyk, Dan L; Toogood, Roger W; Heo, Giseon; Carey, Jason P; Major, Paul W

    2014-01-01

    Orthodontic literature has shown all ligation methods to behave similarly in the clinical situation; however, the reasoning behind this still requires further investigation. A novel frictional device able to measure forces at the level of the bracket along with a custom perturbation device was used to investigate the effect of perturbations on resistance to sliding (RS) using conventional and passive ligated brackets. 150 3M Victory Series twins (0.022 slot) and 150 Damon Q brackets (0.022 slot) were tested using an 0.018 x 0.025 stainless steel wire for RS. There were 5 test groups consisting of equal numbers (n=30) representing combinations of high and low amplitude and frequency of perturbations along with a control. Second order angulation tested ranged from 0 to 6 degrees. Results for conventional brackets in the presence of perturbations at 0 degrees showed there was a statistically significant reduction (P<0.001) in RS when compared to controls. At 6 degrees, this difference (P<0.001) was seen in both high perturbation groups and one of the low perturbation groups. For passive ligated brackets, no statistically significant difference between groups was seen at 0 degrees. However, at 6 degrees high perturbation groups both resulted in statistically significant (P<0.001) reductions in RS when compared to controls. From this study it was concluded that passive ligated brackets have a lower RS when compared to conventional ligated brackets under all test conditions and angulations. Also, amplitude of perturbations has a larger role than frequency in reduction of RS values. PMID:25395993

  2. The effect of perturbations on resistance to sliding in second-order moments comparing two different bracket types

    PubMed Central

    Wong, Justin K; Romanyk, Dan L; Toogood, Roger W; Heo, Giseon; Carey, Jason P

    2014-01-01

    Orthodontic literature has shown all ligation methods to behave similarly in the clinical situation; however, the reasoning behind this still requires further investigation. A novel frictional device able to measure forces at the level of the bracket along with a custom perturbation device was used to investigate the effect of perturbations on resistance to sliding (RS) using conventional and passive ligated brackets. 150 3M Victory Series twins (0.022 slot) and 150 Damon Q brackets (0.022 slot) were tested using an 0.018 x 0.025 stainless steel wire for RS. There were 5 test groups consisting of equal numbers (n=30) representing combinations of high and low amplitude and frequency of perturbations along with a control. Second order angulation tested ranged from 0 to 6 degrees. Results for conventional brackets in the presence of perturbations at 0 degrees showed there was a statistically significant reduction (P<0.001) in RS when compared to controls. At 6 degrees, this difference (P<0.001) was seen in both high perturbation groups and one of the low perturbation groups. For passive ligated brackets, no statistically significant difference between groups was seen at 0 degrees. However, at 6 degrees high perturbation groups both resulted in statistically significant (P<0.001) reductions in RS when compared to controls. From this study it was concluded that passive ligated brackets have a lower RS when compared to conventional ligated brackets under all test conditions and angulations. Also, amplitude of perturbations has a larger role than frequency in reduction of RS values. PMID:25395993

  3. Twisted mass chiral perturbation theory at next-to-leading order

    NASA Astrophysics Data System (ADS)

    Sharpe, Stephen R.; Wu, Jackson M.

    2005-04-01

    We study the properties of pions in twisted mass lattice QCD (with two degenerate flavors) using chiral perturbation theory (χPT). We work to next-to-leading order (NLO) in a power-counting scheme in which mq˜aΛ2QCD, with mq the physical quark mass and a the lattice spacing. We argue that automatic O(a) improvement of physical quantities at maximal twist, which has been demonstrated in general if mq≫aΛ2QCD, holds even if mq˜aΛ2QCD, as long as one uses an appropriate nonperturbative definition of the twist angle, with the caveat that we have shown this only through NLO in our chiral expansion. We demonstrate this with explicit calculations, for arbitrary twist angle, of all pionic quantities that involve no more than a single pion in the initial and final states: masses, decay constants, form factors, and condensates, as well as the differences between alternate definitions of twist angle. We also calculate the axial and pseudoscalar form factors of the pion, quantities which violate flavor and parity, and which vanish in the continuum limit. These are of interest because they are not automatically O(a) improved at maximal twist. They allow a determination of the unknown low-energy constants introduced by discretization errors, and provide tests of the accuracy of χPT at NLO. We extend our results into the regime where mq˜a2Λ3QCD, and argue in favor of a recent proposal that automatic O(a) improvement at maximal twist remains valid in this regime.

  4. A Brief Overview of Fixed-Order Perturbative QCD Calculations of Jet Production in Heavy-Ion Collisions

    NASA Astrophysics Data System (ADS)

    Vitev, I.

    We review recent developments in the QCD description of jet production and modification in reactions with heavy nuclei at relativistic energies. Our goal is to formulate a perturbative expansion in the presence of nuclear matter that allows to systematically improve the accuracy of the theoretical predictions. As an example, we present calculations of inclusive jet cross sections at RHIC, Z(0/gamma^*) -tagged jet cross sections at the LHC, and jet shapes that include both next-to-leading order perturbative effects and the effects of the nuclear medium.

  5. Scalable implementation of analytic gradients for second-order Z-averaged perturbation theory using the distributed data interface.

    PubMed

    Aikens, Christine M; Fletcher, Graham D; Schmidt, Michael W; Gordon, Mark S

    2006-01-01

    The analytic gradient expression for second-order Z-averaged perturbation theory is revised and its parallel implementation is described in detail. The distributed data interface is used to access molecular-orbital integral arrays stored in distributed memory. The algorithm is designed to maximize the use of local data and reduce communication costs. The iterative solution and the preconditioner used to induce the convergence of the coupled-perturbed Hartree-Fock equations are presented. Several illustrative timing examples are discussed. PMID:16409024

  6. Second-order Kohn-Sham perturbation theory: correlation potential for atoms in a cavity.

    PubMed

    Jiang, Hong; Engel, Eberhard

    2005-12-01

    Second-order perturbation theory based on the Kohn-Sham Hamiltonian leads to an implicit density functional for the correlation energy E(c) (MP2), which is explicitly dependent on both occupied and unoccupied Kohn-Sham single-particle orbitals and energies. The corresponding correlation potential v(c) (MP2), which has to be evaluated by the optimized potential method, was found to be divergent in the asymptotic region of atoms, if positive-energy continuum states are included in the calculation [Facco Bonetti et al., Phys. Rev. Lett. 86, 2241 (2001)]. On the other hand, Niquet et al., [J. Chem. Phys. 118, 9504 (2003)] showed that v(c) (MP2) has the same asymptotic -alpha(2r(4)) behavior as the exact correlation potential, if the system under study has a discrete spectrum only. In this work we study v(c) (MP2) for atoms in a spherical cavity within a basis-set-free finite differences approach, ensuring a completely discrete spectrum by requiring hard-wall boundary conditions at the cavity radius. Choosing this radius sufficiently large, one can devise a numerical continuation procedure which allows to normalize v(c) (MP2) consistent with the standard choice v(c)(r-->infinity)=0 for free atoms, without modifying the potential in the chemically relevant region. An important prerequisite for the success of this scheme is the inclusion of very high-energy virtual states. Using this technique, we have calculated v(c) (MP2) for all closed-shell and spherical open-shell atoms up to argon. One finds that v(c) (MP2) reproduces the shell structure of the exact correlation potential very well but consistently overestimates the corresponding shell oscillations. In the case of spin-polarized atoms one observes a strong interrelation between the correlation potentials of the two spin channels, which is completely absent for standard density functionals. However, our results also demonstrate that E(c) (MP2) can only serve as a first step towards the construction of a suitable

  7. Chaos in the perturbed Korteweg-de Vries equation with nonlinear terms of higher order

    NASA Astrophysics Data System (ADS)

    Pan, Wei-Zhen; Song, Xiang-Jiong; Yu, Jun

    2010-03-01

    The dynamical behaviour of the generalized Korteweg-de Vries (KdV) equation under a periodic perturbation is investigated numerically. The bifurcation and chaos in the system are observed by applying bifurcation diagrams, phase portraits and Poincaré maps. To characterise the chaotic behaviour of this system, the spectra of the Lyapunov exponent and Lyapunov dimension of the attractor are also employed.

  8. Florida Investigates 2nd Possible Local Transmission of Zika Virus

    MedlinePlus

    ... html Florida Investigates 2nd Possible Local Transmission of Zika Virus If confirmed, cases would be first instances ... investigating a second possible case of locally transmitted Zika infection. On Tuesday, the first possible case of ...

  9. 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.

  10. 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.

  11. 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.

  12. Communication: extended multi-state complete active space second-order perturbation theory: energy and nuclear gradients.

    PubMed

    Shiozaki, Toru; Gyorffy, Werner; Celani, Paolo; Werner, Hans-Joachim

    2011-08-28

    The extended multireference quasi-degenerate perturbation theory, proposed by Granovsky [J. Chem. Phys. 134, 214113 (2011)], is combined with internally contracted multi-state complete active space second-order perturbation theory (XMS-CASPT2). The first-order wavefunction is expanded in terms of the union of internally contracted basis functions generated from all the reference functions, which guarantees invariance of the theory with respect to unitary rotations of the reference functions. The method yields improved potentials in the vicinity of avoided crossings and conical intersections. The theory for computing nuclear energy gradients for MS-CASPT2 and XMS-CASPT2 is also presented and the first implementation of these gradient methods is reported. A number of illustrative applications of the new methods are presented. PMID:21895152

  13. Determination of molecular hyperfine-structure constant using the second-order relativistic many-body perturbation theory

    SciTech Connect

    Nayak, Malaya K.; Chaudhuri, Rajat K.

    2011-02-15

    The spin-rotational Hamiltonian parameters A{sub ||} and A{sub perpendicular} for the BaF molecule are calculated using four-component relativistic spinors at the second-order many-body perturbation theory (MBPT) level via the Z-vector technique. The second-order MBPT is applied to assess the accuracy of the computed hyperfine-structure constants before studying the problem with the state-of-the-artcoupled cluster with single and double excitations (CCSD) method which is highly accurate but computationally more expensive than MBPT. The hyperfine-structure constants A and A{sub d} resulted from these calculations agree favorably well with experimental findings and with other correlated calculations. The convergence behavior of A and A{sub d} with respect to the number of active orbitals used in the perturbative calculations suggests that our estimated A and A{sub d} values should be accurate.

  14. 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.

  15. Next-to-leading-order perturbative-QCD predictions for gammagamma-->M+M- (M=pi,K).

    PubMed

    Duplancić, Goran; Nizić, Bene

    2006-10-01

    We report the first complete leading-twist next-to-leading-order perturbative-QCD predictions for the two-photon exclusive channels gammagamma-->M(+)M(-) (M=pi,K) at large momentum transfer. The asymptotic distribution amplitude is utilized as a candidate form for the nonperturbative dynamical input. Comparison of the obtained results with the existing experimental data does not provide sufficiently clear evidence to support the applicability of the hard-scattering approach at currently accessible energies. PMID:17155242

  16. 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

  17. 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.

  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. 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.

  20. An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory.

    PubMed

    Hannon, Kevin P; Li, Chenyang; Evangelista, Francesco A

    2016-05-28

    We report an efficient implementation of a second-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT2) [C. Li and F. A. Evangelista, J. Chem. Theory Comput. 11, 2097 (2015)]. Our implementation employs factorized two-electron integrals to avoid storage of large four-index intermediates. It also exploits the block structure of the reference density matrices to reduce the computational cost to that of second-order Møller-Plesset perturbation theory. Our new DSRG-MRPT2 implementation is benchmarked on ten naphthyne isomers using basis sets up to quintuple-ζ quality. We find that the singlet-triplet splittings (ΔST) of the naphthyne isomers strongly depend on the equilibrium structures. For a consistent set of geometries, the ΔST values predicted by the DSRG-MRPT2 are in good agreements with those computed by the reduced multireference coupled cluster theory with singles, doubles, and perturbative triples. PMID:27250283

  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. 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.

  3. 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.

  4. Second-order many-body perturbation study of ice Ih

    SciTech Connect

    He, Xiao; Sode, Olaseni; Xantheas, Sotiris S.; Hirata, So

    2012-11-28

    Ice Ih is arguably the most important molecular crystal in nature, yet our understanding of its structural and dynamical properties is still incomplete. To explain the origin of two peaks in the hydrogen-bond-stretching region of the inelastic neutron scattering (INS) spectra, the existence of two types of hydrogen bonds with strengths differing by a factor of two was previously hypothesized. We present first-principles calculations based on diagrammatic many-body perturbation theory of the structures and vibrational spectra of ice Ih, which suggest that the observed spectral features arise from the directionality or anisotropy of the hydrogen-bond stretching vibrations rather than their vastly different force constants, disproving the previous hypothesis. Our calculations also reproduce the infrared and Raman spectra, the variation of INS spectra with deuterium concentration, and the anomaly of heat capacities at low temperatures, together rendering our calculations a paradigm for "crystals from first principles" as envisioned by Maddox.

  5. Higher order statistics of curvature perturbations in IFF model and its Planck constraints

    SciTech Connect

    Fujita, Tomohiro; Yokoyama, Shuichiro E-mail: shu@icrr.u-tokyo.ac.jp

    2013-09-01

    We compute the power spectrum P{sub ζ} and non-linear parameters f{sub NL} and τ{sub NL} of the curvature perturbation induced during inflation by the electromagnetic fields in the kinetic coupling model (IFF model). By using the observational result of P{sub ζ},f{sub NL} and τ{sub NL} reported by the Planck collaboration, we study the constraint on the model comprehensively. Interestingly, if the single slow-rolling inflaton is responsible for the observed P{sub ζ}, the constraint from τ{sub NL} is most stringent. We also find a general relationship between f{sub NL} and τ{sub NL} generated in this model. Even if f{sub NL} ∼ O(1), a detectable τ{sub NL} can be produced.

  6. 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.

  7. 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.

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

    PubMed

    Vlaisavljevich, Bess; Shiozaki, Toru

    2016-08-01

    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. PMID:27388038

  9. 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

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

    DOE PAGESBeta

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

    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.

  11. Properties of the one-dimensional Bose-Hubbard model from a high-order perturbative expansion

    NASA Astrophysics Data System (ADS)

    Damski, Bogdan; Zakrzewski, Jakub

    2015-12-01

    We employ a high-order perturbative expansion to characterize the ground state of the Mott phase of the one-dimensional Bose-Hubbard model. We compute for different integer filling factors the energy per lattice site, the two-point and density-density correlations, and expectation values of powers of the on-site number operator determining the local atom number fluctuations (variance, skewness, kurtosis). We compare these expansions to numerical simulations of the infinite-size system to determine their range of applicability. We also discuss a new sum rule for the density-density correlations that can be used in both equilibrium and non-equilibrium systems.

  12. 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. PMID:27127962

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

    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. 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. PMID:24070825

  15. 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.

  16. Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds?

    NASA Astrophysics Data System (ADS)

    Pastore, Mariachiara; Helal, Wissam; Evangelisti, Stefano; Leininger, Thierry; Malrieu, Jean-Paul; Maynau, Daniel; Angeli, Celestino; Cimiraglia, Renzo

    2008-05-01

    In this paper, the problem of the calculation of the electronic structure of mixed-valence compounds is addressed in the frame of multireference perturbation theory (MRPT). Using a simple mixed-valence compound (the 5,5' (4H,4H')-spirobi[ciclopenta[c]pyrrole] 2,2',6,6' tetrahydro cation), and the n-electron valence state perturbation theory (NEVPT2) and CASPT2 approaches, it is shown that the ground state (GS) energy curve presents an unphysical "well" for nuclear coordinates close to the symmetric case, where a maximum is expected. For NEVPT, the correct shape of the energy curve is retrieved by applying the MPRT at the (computationally expensive) third order. This behavior is rationalized using a simple model (the ionized GS of two weakly interacting identical systems, each neutral system being described by two electrons in two orbitals), showing that the unphysical well is due to the canonical orbital energies which at the symmetric (delocalized) conformation lead to a sudden modification of the denominators in the perturbation expansion. In this model, the bias introduced in the second order correction to the energy is almost entirely removed going to the third order. With the results of the model in mind, one can predict that all MRPT methods in which the zero order Hamiltonian is based on canonical orbital energies are prone to present unreasonable energy profiles close to the symmetric situation. However, the model allows a strategy to be devised which can give a correct behavior even at the second order, by simply averaging the orbital energies of the two charge-localized electronic states. Such a strategy is adopted in a NEVPT2 scheme obtaining a good agreement with the third order results based on the canonical orbital energies. The answer to the question reported in the title (is this theoretical approach a reliable tool for a correct description of these systems?) is therefore positive, but care must be exercised, either in defining the orbital energies

  17. 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.

  18. Analytic solution to leading order coupled DGLAP evolution equations: A new perturbative QCD tool

    NASA Astrophysics Data System (ADS)

    Block, Martin M.; Durand, Loyal; Ha, Phuoc; McKay, Douglas W.

    2011-03-01

    We have analytically solved the LO perturbative QCD singlet DGLAP equations [V. N. Gribov and L. N. Lipatov, Sov. J. Nucl. Phys. 15, 438 (1972)SJNCAS0038-5506][G. Altarelli and G. Parisi, Nucl. Phys. B126, 298 (1977)][Y. L. Dokshitzer, Sov. Phys. JETP 46, 641 (1977)SPHJAR0038-5646] using Laplace transform techniques. Newly developed, highly accurate, numerical inverse Laplace transform algorithms [M. M. Block, Eur. Phys. J. C 65, 1 (2010)EPCFFB1434-604410.1140/epjc/s10052-009-1195-8][M. M. Block, Eur. Phys. J. C 68, 683 (2010)EPCFFB1434-604410.1140/epjc/s10052-010-1374-7] allow us to write fully decoupled solutions for the singlet structure function Fs(x,Q2) and G(x,Q2) as Fs(x,Q2)=Fs(Fs0(x0),G0(x0)) and G(x,Q2)=G(Fs0(x0),G0(x0)), where the x0 are the Bjorken x values at Q02. Here Fs and G are known functions—found using LO DGLAP splitting functions—of the initial boundary conditions Fs0(x)≡Fs(x,Q02) and G0(x)≡G(x,Q02), i.e., the chosen starting functions at the virtuality Q02. For both G(x) and Fs(x), we are able to either devolve or evolve each separately and rapidly, with very high numerical accuracy—a computational fractional precision of O(10-9). Armed with this powerful new tool in the perturbative QCD arsenal, we compare our numerical results from the above equations with the published MSTW2008 and CTEQ6L LO gluon and singlet Fs distributions [A. D. Martin, W. J. Stirling, R. S. Thorne, and G. Watt, Eur. Phys. J. C 63, 189 (2009)EPCFFB1434-604410.1140/epjc/s10052-009-1072-5], starting from their initial values at Q02=1GeV2 and 1.69GeV2, respectively, using their choice of αs(Q2). This allows an important independent check on the accuracies of their evolution codes and, therefore, the computational accuracies of their published parton distributions. Our method completely decouples the two LO distributions, at the same time guaranteeing that both G and Fs satisfy the singlet coupled DGLAP equations. It also allows one to easily obtain the effects of

  19. 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

  20. 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…

  1. 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. ...

  2. 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…

  3. 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. PMID:25910112

  4. n-body problem in general relativity up to the second post-Newtonian order from perturbative field theory

    SciTech Connect

    Chu Yizen

    2009-02-15

    Motivated by experimental probes of general relativity, we adopt methods from perturbative (quantum) field theory to compute, up to certain integrals, the effective Lagrangian for its n-body problem. Perturbation theory is performed about a background Minkowski space-time to O[(v/c){sup 4}] beyond Newtonian gravity, where v is the typical speed of these n particles in their center of energy frame. For the specific case of the 2-body problem, the major efforts underway to measure gravitational waves produced by inspiraling compact astrophysical binaries require their gravitational interactions to be computed beyond the currently known O[(v/c){sup 7}]. We argue that such higher order post-Newtonian calculations must be automated for these field theoretic methods to be applied successfully to achieve this goal. In view of this, we outline an algorithm that would in principle generate the relevant Feynman diagrams to an arbitrary order in v/c and take steps to develop the necessary software. The Feynman diagrams contributing to the n-body effective action at O[(v/c){sup 6}] beyond Newton are derived.

  5. Drift resonance effect on stochastic runaway electron orbit in the presence of low-order magnetic perturbations

    NASA Astrophysics Data System (ADS)

    Matsuyama, A.; Yagi, M.; Kagei, Y.; Nakajima, N.

    2014-12-01

    During major disruptions, an induced loop voltage accelerates runaway electrons (REs) towards high energy, being in the order of 1-100 MeV in present tokamaks and ITER. The stochastization mechanisms of such high-energy RE drift orbits are investigated by three-dimensional (3D) orbit following in tokamak plasmas. Drift resonance is shown to play an important role in determining the onset of stochastic drift orbits for different electron energies, particularly in cases with low-order perturbations that have radially global eigenfunctions of the scale of the plasma minor radius. The drift resonance due to the coupling between the cross-field drift motion with radially global modes yields a secondary island structure in the RE drift orbit, where the width of the secondary drift islands shows a square-root dependence on the relativistic gamma factor γ. Only for highly relativistic REs (γ ≫ 1), the widths of secondary drift islands are comparable with those of magnetic islands due to the primary resonance, thus the stochastic threshold becoming sensitive to the RE energy. Because of poloidal asymmetry due to toroidicity, the threshold becomes sensitive not only to the relative amplitude but also to the phase difference between the modes. In this paper, some examples of 3D orbit-following calculations are presented for analytic models of magnetic perturbations with multiple toroidal mode numbers, for both possibilities that the drift resonance enhances and suppresses the stochastization being illustrated.

  6. 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.

  7. 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

    2015-08-01

    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. PMID:26296111

  8. Cholesky-decomposed densities in Laplace-based second-order Møller-Plesset perturbation theory

    NASA Astrophysics Data System (ADS)

    Zienau, Jan; Clin, Lucien; Doser, Bernd; Ochsenfeld, Christian

    2009-05-01

    Based on our linear-scaling atomic orbital second-order Møller-Plesset perturbation theory (AO-MP2) method [J. Chem. Phys. 130, 064107 (2009)], we explore the use of Cholesky-decomposed pseudodensity (CDD) matrices within the Laplace formulation. Numerically significant contributions are preselected using our multipole-based integral estimates as upper bounds to two-electron integrals so that the 1/R6 decay behavior of transformed Coulomb-type products is exploited. In addition, we combine our new CDD-MP2 method with the resolution of the identity (RI) approach. Even though the use of RI results in a method that shows a quadratic scaling behavior in the dominant steps, gains of up to one or two orders of magnitude vs. our original AO-MP2 method are observed in particular for larger basis sets.

  9. [Employment and education in the 2nd economic and social development plan of Togo].

    PubMed

    Dovi-sodemekou, F B

    1985-01-01

    Togo is a developing country whose population is increasing at the rapid rate of 2.7%/year. Economic development is therefore a necessity to ensure at least an average standard of living. Plans of development include objectives of structural societal changes, including improvements in education and employment. This study analyzes the evolution of population activities. It identifies obstacles to the improvement of education and employment. The investigation examines the employment and education situation before adoption of the 2nd plan of Togo and predicts the probable evolution of the situation. Despite the priority accorded to agriculture, the 2nd plan appears to give greater importance to industry. The industrial and commercial sector has witnessed a 65.2% investment increase, whereas the rural sector had an investment increase of 11.8%. The 2nd plan, in view of its relation to the evolution of economic activities, took into account the demand for manual labor. In the private sector, industries should occupy an important position. The dualism of a modern and a traditional sector is considered a cause of underdevelopment. The modern sector should be developed in order to suppress the traditional sector and allow progress in society. As a result of this approach, agriculture is given a 2ndary role. PMID:12267415

  10. On the Contribution of Density Perturbations and Gravitational Waves to the Lower Order Multipoles of the Cosmic Microwave Background Radiation

    NASA Astrophysics Data System (ADS)

    Dimitropoulos, A.; Grishchuk, L. P.; Sathyaprakash, B. S.

    The important studies of Peebles, and Bond and Efstathiou have led to the formula Cl=const./[l(l+1)] aimed at describing the lower order multipoles of the CMBR temperature variations caused by density perturbations with the flat spectrum. Clearly, this formula requires amendments, as it predicts an infinitely large monopole C0, and a dipole moment C1 only 6/2 times larger than the quadrupole C2, both predictions in conflict with observations. We restore the terms omitted in the course of the derivation of this formula, and arrive at a new expression. According to the corrected formula, the monopole moment is finite and small, while the dipole moment is sensitive to short-wavelength perturbations, and numerically much larger than the quadrupole, as one would expect on physical grounds. At the same time, the function l(l+1)Cl deviates from a horizontal line and grows with l, for l>=2. We show that the inclusion of the modulating (transfer) function terminates the growth and forms the first peak, recently observed. We fit the theoretical curves to the position and height of the first peak, as well as to the observed dipole, varying three parameters: red-shift at decoupling, red-shift at matter-radiation equality, and slope of the primordial spectrum. It appears that there is always a deficit, as compared with the COBE observations, at small multipoles, l~10. We demonstrate that a reasonable and theoretically expected amount of gravitational waves bridges this gap at small multipoles, leaving the other fits as good as before. We show that the observationally acceptable models permit somewhat ``blue'' primordial spectra. This allows one to avoid the infrared divergence of cosmological perturbations, which is otherwise present.

  11. Extension of the chiral perturbation theory meson Lagrangian to order {ital p}{sup 6}

    SciTech Connect

    Fearing, H.W.; Scherer, S.

    1996-01-01

    We have constructed the most general chirally invariant Lagrangian {ital scrL}{sub 6} for the meson sector at order {ital p}{sup 6}. The result provides an extension of the standard Gasser-Leutwyler Lagrangian {ital scrL}{sub 4} to one higher order, including as well all the odd intrinsic parity terms in the Lagrangian. The most difficult part of the construction was developing a systematic strategy so as to get all of the independent terms and eliminate the redundant ones in an efficient way. The claim to have obtained the most general Lagrangian relies on this systematic construction and on the elimination of redundant quantities using relations of which we are aware, rather than on a general formal proof of either completeness or independence. The {open_quote}{open_quote}equation-of-motion{close_quote}{close_quote} terms, which are redundant in the sense that they can be transformed away via field transformations, are separated out explicitly. The resulting Lagrangian has been separated into groupings of terms contributing to increasingly more complicated processes, so that one does not have to deal with the full result when calculating {ital p}{sup 6} contributions to simple processes. {copyright} {ital 1995 The American Physical Society.}

  12. 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.

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

    NASA Astrophysics Data System (ADS)

    Gonthier, Jérôme F.; Corminboeuf, Clémence

    2014-04-01

    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

  14. 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

  15. Explicitly correlated local second-order perturbation theory with a frozen geminal correlation factor.

    PubMed

    Manby, Frederick R; Werner, Hans-Joachim; Adler, Thomas B; May, Andrew J

    2006-03-01

    The recently introduced MP2-R122*A(loc) and LMP2-R122*A(loc) methods are modified to use a short-range correlation factor expanded as a fixed linear combination of Gaussian geminals. Density fitting is used to reduce the effort for integral evaluation, and local approximations are introduced to improve the scaling of the computational resources with molecular size. The MP2-F122*A(loc) correlation energies converge very rapidly with respect to the atomic orbital basis set size. Already with the aug-cc-pVTZ basis the correlation energies computed for a set of 21 small molecules are found to be within 0.5% of the MP2 basis set limit. Furthermore the short-range correlation factor leads to an improved convergence of the resolution of the identity, and eliminates problems with long-range errors in density fitting caused by the linear r12 factor. The DF-LMP2-F122*A(loc) method is applied to compute second-order correlation energies for molecules with up to 49 atoms and more than 1600 basis functions. PMID:16526841

  16. 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

  17. 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.

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

    NASA Astrophysics Data System (ADS)

    Casanova, David

    2014-04-01

    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 N2 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.

  19. Mott-insulator phase of the one-dimensional Bose-Hubbard model: A high-order perturbative study

    NASA Astrophysics Data System (ADS)

    Damski, Bogdan; Zakrzewski, Jakub

    2006-10-01

    The one-dimensional Bose-Hubbard model at a unit filling factor is studied by means of a very high-order symbolic perturbative expansion. Analytical expressions are derived for the ground-state quantities such as energy per site, variance of on-site occupation, and correlation functions: ⟨âj†âj+r⟩ and ⟨n̂jn̂j+r⟩ . These findings are compared to numerics and good agreement is found in the Mott insulator phase. Our results provide analytical approximations to important observables in the Mott phase, and are also of direct relevance to future experiments with ultracold atomic gases placed in optical lattices. We also discuss the symmetry of the Bose-Hubbard model associated with the sign change of the tunneling coupling.

  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 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.

  2. 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.

  3. Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context.

    PubMed

    Wang, Yang Min; Hättig, Christof; Reine, Simen; Valeev, Edward; Kjærgaard, Thomas; Kristensen, Kasper

    2016-05-28

    We present the DEC-RIMP2-F12 method where we have augmented the Divide Expand-Consolidate resolution-of-the-identity second-order Møller-Plesset perturbation theory method (DEC-RIMP2) [P. Baudin et al., J. Chem. Phys. 144, 054102 (2016)] with an explicitly correlated (F12) correction. The new method is linear-scaling, massively parallel, and it corrects for the basis set incompleteness error in an efficient manner. In addition, we observe that the F12 contribution decreases the domain error of the DEC-RIMP2 correlation energy by roughly an order of magnitude. An important feature of the DEC scheme is the inherent error control defined by a single parameter, and this feature is also retained for the DEC-RIMP2-F12 method. In this paper we present the working equations for the DEC-RIMP2-F12 method and proof of concept numerical results for a set of test molecules. PMID:27250284

  4. Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory

    NASA Astrophysics Data System (ADS)

    Hohenstein, Edward G.; Parrish, Robert M.; Martínez, Todd J.

    2012-07-01

    Many approximations have been developed to help deal with the O(N4) growth of the electron repulsion integral (ERI) tensor, where N is the number of one-electron basis functions used to represent the electronic wavefunction. Of these, the density fitting (DF) approximation is currently the most widely used despite the fact that it is often incapable of altering the underlying scaling of computational effort with respect to molecular size. We present a method for exploiting sparsity in three-center overlap integrals through tensor decomposition to obtain a low-rank approximation to density fitting (tensor hypercontraction density fitting or THC-DF). This new approximation reduces the 4th-order ERI tensor to a product of five matrices, simultaneously reducing the storage requirement as well as increasing the flexibility to regroup terms and reduce scaling behavior. As an example, we demonstrate such a scaling reduction for second- and third-order perturbation theory (MP2 and MP3), showing that both can be carried out in O(N4) operations. This should be compared to the usual scaling behavior of O(N5) and O(N6) for MP2 and MP3, respectively. The THC-DF technique can also be applied to other methods in electronic structure theory, such as coupled-cluster and configuration interaction, promising significant gains in computational efficiency and storage reduction.

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

    PubMed

    Ng, Yee-Hong; Bettens, Ryan P A

    2016-03-01

    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. PMID:26835785

  6. Two 2nd Circuit decisions represent mixed bag on insurance.

    PubMed

    2000-01-21

    The 2nd U.S. Circuit Court of Appeals in New York issued two important rulings within a week on the extent to which the Americans with Disabilities Act (ADA) regulates insurance practices. [Name removed] v. Allstate Life Insurance Co. was a plaintiff-friendly decision, finding that the insurance company illegally refused to sell life insurance to a married couple because of their mental disability, major depression. [Name removed]. v. Israel Discount Bank of New York was more defendant friendly and tackled the issue of whether the ADA permits different benefit caps for mental and physical disabilities. PMID:11367226

  7. 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.

  8. Semiclassical Transition-State Theory Based on Fourth-Order Vibrational Perturbation Theory: The Symmetrical Eckart Barrier.

    PubMed

    Stanton, John F

    2016-07-21

    Semiclassical transition-state theory based on fourth-order vibrational perturbation theory (VPT4-SCTST) is applied to compute the barrier transmission coefficient for the symmetric Eckart potential. For a barrier parametrized to mimic the H2 + H exchange reaction, the results obtained are in excellent agreement with exact quantum calculations over a range of energy that extends down to roughly 1% of the barrier height, V0, where tunneling is negligible. The VPT2-SCTST treatment, which is commonly used in chemical kinetics studies, also performs quite well but already shows an error of a few percent at ca. 0.8 V0 where tunneling is still important. This suggests that VPT4-SCTST could offer an improvement over VPT2-SCTST in applications studies. However, the computational effort for VPT4-SCTST treatments of molecules is excessive, and any improvement gained is unlikely to warrant the increased effort. Nevertheless, the treatment of the symmetric Eckart barrier problem here suggests a simple modification of the usual VPT2-SCTST protocol that warrants further investigation. PMID:27358083

  9. Stabilization of polymer electrolyte fuel cell voltage with reduced-order Lyapunov exponent feedback and corrective pressure perturbations

    NASA Astrophysics Data System (ADS)

    Burkholder, Michael B.; Litster, Shawn

    2015-02-01

    Polymer electrolyte fuel cell (PEFC) system efficiency can be decreased by instabilities resulting from the accumulation of water in the cathode as well as by excessive air delivery parasitic loads used to prevent liquid water accumulation. In this work, we present a new instability detection diagnostic tailored for the nonlinear and chaotic dynamics of PEFC operation with multi-phase flow in the gas channels. The instability statistic, the Lyapunov exponent of the reduced-order voltage return map, λ, is a measure of the exponential rate of divergence in the dynamic voltage signal measured from the fuel cell. A key advantage of this statistic for embedded control is that it is a self-referencing measure of the system stability for feedback and is not based on an a priori performance threshold. Our experiments demonstrate that the Lyapunov exponent statistic provides a warning typically 100 s in advance of significant power loss. Using this statistic as a control diagnostic, a new control scheme that detects PEFC instability in real time and mitigates it with pressure perturbations was applied experimentally to several fuel cell systems, including one that simulates stack operation. Our control scheme resulted in increased PEFC power, decreased cathode flooding leading to a lower parasitic load for air delivery, and stable PEFC performance.

  10. Karplus dependence of spin-spin coupling constants revisited theoretically. Part 1: second-order double perturbation theory.

    PubMed

    Rusakova, Irina L; Krivdin, Leonid B

    2013-11-01

    A double perturbation theory (DPT) at the second order level of approximation formalism has been applied to examine the dihedral angle dependence of the Fermi-contact (FC) contribution to nuclear spin-spin coupling constants. The unperturbed wave function of the ground state in DPT was approximated by the Hartree-Fock Slater determinant, while the excited states were treated as the single excited determinants. An analytical expression relating the FC term of vicinal proton-proton spin-spin coupling constants across the aliphatic single carbon-carbon bond to the dihedral angle describing inner rotation around the C-C bond in the ten-electron ten-orbital moiety H-C-C-H has been derived and analyzed. In particular, it has been shown that extrema of (3)J(H,H) are observed at φ = πn, n = 0, ±1, ±2,…, which provides a theoretical background of a well-known semiempirical Karplus equation. PMID:24071769

  11. The crystal structure of ^7Li2ND

    NASA Astrophysics Data System (ADS)

    Tsubota, Masami; Sorby, Magnus H.; Hino, Satoshi; Ichikawa, Takayuki; Hauback, Bjorn C.; Kojima, Yoshitsugu

    2008-03-01

    Recently much attention has been given to reversible hydrogen storage materials possessing high gravimetric capacity. Lithium amide/imide systems are promising candidates. Chen et al.[1] found that a mixture of lithium amide and lithium hydride can reversibly store hydrogen up to 6.5 mass% forming lithium imide (Li2NH). Among them, the crystal structure of Li2NH is still controversial. Balogh et al.[2] have reported a cubic structure model. However, this model differs significantly from theoretical structure models. In this work, the crystal structure of the isotopically substituted ^7Li2ND has been investigated by powder neutron and synchrotron X-ray diffraction experiments. In our data some peaks, which should be a single peak for cubic symmetry, were obviously split indicating a lower symmetry than cubic for lithium imide. The structure of ^7Li2ND will be described. [1] P. Chen et al., J. Phys. Chem. B 107 (2003) 10967. [2] M.P. Balogh et al., J. Alloys Compd. 420 (2006) 326.

  12. 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.

  13. 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.

  14. 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

  15. 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.

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

    SciTech Connect

    Herbert, J.M.

    1997-07-01

    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.

  17. 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

  18. Dynamical next-to-next-to-leading order parton distributions and the perturbative stability of F{sub L}(x,Q{sup 2})

    SciTech Connect

    Glueck, M.; Reya, E.; Pisano, C.

    2008-04-01

    Recent measurements for F{sub 2}(x,Q{sup 2}) have been analyzed in terms of the 'dynamical' and 'standard' parton model approach at next-to-leading order (NLO) and next-to-next-to-leading order (NNLO) of perturbative QCD. Having fixed the relevant NLO and NNLO parton distributions, we present the implications and predictions for the longitudinal structure function F{sub L}(x,Q{sup 2}). It is shown that the previously noted extreme perturbative NNLO/NLO instability of F{sub L}(x,Q{sup 2}) is an artifact of the commonly utilized 'standard' gluon distributions. In particular it is demonstrated that using the appropriate--dynamically generated--parton distributions at NLO and NNLO, F{sub L}(x,Q{sup 2}) turns out to be perturbatively rather stable already for Q{sup 2}{>=}O(2-3 GeV{sup 2})

  19. 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.

  20. Prospects of using the second-order perturbation theory of the MP2 type in the theory of electron scattering by polyatomic molecules

    SciTech Connect

    Čársky, Petr

    2015-01-22

    So far the second-order perturbation theory has been only applied to the hydrogen molecule. No application was attempted for another molecule, probably because of technical difficulties of such calculations. The purpose of this contribution is to show that the calculations of this type are now feasible on larger polyatomic molecules even on commonly used computers.

  1. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

  3. Proton polarisability contribution to the Lamb shift in muonic hydrogen at fourth order in chiral perturbation theory

    NASA Astrophysics Data System (ADS)

    McGovern, Judith

    2013-04-01

    The recent determination of the proton charge radius from the Lamb shift in muonic hydrogen [1] gives a value that differs by many standard deviations from the CODATA value [2] and from the results of recent electron scattering experiments [3]. In the theoretical calculations [4], the least-well-determined contribution is the ``proton polarisability'' contribution. This is the part of the two-photon exchange which involves proton excitations. The dominant effect can be determined via dispersion relations from the proton structure functions, but a subtraction term remains [5,6]. This subtraction term is the amplitude T1(0,Q^2) for forward, zero-energy, doubly-virtual Compton scattering, which we calculate in heavy-baryon chiral perturbation theory, to fourth order in the chiral expansion and with the leading contribution of the γNδ form factor. This provides a model-independent expression for the amplitude in the low-momentum region, which is the dominant one for its contribution to the Lamb shift, and allows us to significantly reduce the theoretical uncertainty in the latter [7].[4pt] [1] R. Pohl et al., Nature 466, 213 (2010).[0pt] [2] P. J. Mohr, B. N. Taylor and D. B. Newell, Rev. Mod. Phys. 80, 633 (2008) [arXiv:0801.0028].[0pt] [3] J. C. Bernauer et al. (A1 Collaboration), Phys. Rev. Lett. 105, 242001 (2010) [arXiv:1007.5076].[0pt] [4] U. D. Jentschura, Ann. Phys. 326, 500 (2011) [arXiv:1011.5275]; E. Borie, Ann. Phys. 327, 733 (2012) [arXiv:1103.1772].[0pt] [5] K. Pachucki, Phys. Rev. A 60, 3593 (1999) [arXiv:physics/9906002].[0pt] [6] C. E. Carlson and M. Vanderhaeghen, Phys. Rev. A 84, 020102 (2011) [arXiv:1101.5965]; also [arXiv:1109.3779].[0pt] [7] M. C. Birse and J. A. McGovern, Eur. Phys. J. A48, 120 (2012) [arXiv:1206.3030].

  4. 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.

  5. Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: Theory and test calculations of second order approximation

    NASA Astrophysics Data System (ADS)

    Chen, Zhenhua; Hoffmann, Mark R.

    2012-07-01

    A unitary wave operator, exp (G), G+ = -G, is considered to transform a multiconfigurational reference wave function Φ to the potentially exact, within basis set limit, wave function Ψ = exp (G)Φ. To obtain a useful approximation, the Hausdorff expansion of the similarity transformed effective Hamiltonian, exp (-G)Hexp (G), is truncated at second order and the excitation manifold is limited; an additional separate perturbation approximation can also be made. In the perturbation approximation, which we refer to as multireference unitary second-order perturbation theory (MRUPT2), the Hamiltonian operator in the highest order commutator is approximated by a Møller-Plesset-type one-body zero-order Hamiltonian. If a complete active space self-consistent field wave function is used as reference, then the energy is invariant under orbital rotations within the inactive, active, and virtual orbital subspaces for both the second-order unitary coupled cluster method and its perturbative approximation. Furthermore, the redundancies of the excitation operators are addressed in a novel way, which is potentially more efficient compared to the usual full diagonalization of the metric of the excited configurations. Despite the loss of rigorous size-extensivity possibly due to the use of a variational approach rather than a projective one in the solution of the amplitudes, test calculations show that the size-extensivity errors are very small. Compared to other internally contracted multireference perturbation theories, MRUPT2 only needs reduced density matrices up to three-body even with a non-complete active space reference wave function when two-body excitations within the active orbital subspace are involved in the wave operator, exp (G). Both the coupled cluster and perturbation theory variants are amenable to large, incomplete model spaces. Applications to some widely studied model systems that can be problematic because of geometry dependent quasidegeneracy, H4, P4, and

  6. [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. PMID:18227902

  7. 2nd PEGS Annual Symposium on Antibodies for Cancer Therapy

    PubMed Central

    Ho, Mitchell; Royston, Ivor; Beck, Alain

    2012-01-01

    The 2nd Annual Antibodies for Cancer Therapy symposium, organized again by Cambridge Healthtech Institute as part of the Protein Engineering Summit, was held in Boston, USA from April 30th to May 1st, 2012. Since the approval of the first cancer antibody therapeutic, rituximab, fifteen years ago, eleven have been approved for cancer therapy, although one, gemtuzumab ozogamicin, was withdrawn from the market.  The first day of the symposium started with a historical review of early work for lymphomas and leukemias and the evolution from murine to human antibodies. The symposium discussed the current status and future perspectives of therapeutic antibodies in the biology of immunoglobulin, emerging research on biosimilars and biobetters, and engineering bispecific antibodies and antibody-drug conjugates. The tumor penetration session was focused on the understanding of antibody therapy using ex vivo tumor spheroids and the development of novel agents targeting epithelial junctions in solid tumors. The second day of the symposium discussed the development of new generation recombinant immunotoxins with low immunogenicity, construction of chimeric antigen receptors, and the proof-of-concept of ‘photoimmunotherapy’. The preclinical and clinical session presented antibodies targeting Notch signaling and chemokine receptors.  Finally, the symposium discussed emerging technologies and platforms for therapeutic antibody discovery. PMID:22864478

  8. 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.

  9. 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.

  10. APTWG: 2nd Asia-Pacific Transport Working Group Meeting

    NASA Astrophysics Data System (ADS)

    Dong, J. Q.; Shi, Y. J.; Tamura, N.; Jhang, Hogun; Watanabe, T.-H.; Ding, X. T.

    2013-02-01

    This conference report summarizes the contributions to and discussions at the 2nd Asia-Pacific Transport Working Group Meeting held in Chengdu, China, from 15 to 18 May 2012. The topics of the meeting were organized under five main headings: momentum transport, non-locality in transport, edge turbulence and L-H transition, three-dimensional effects on transport physics, and particle, momentum and heat pinches. It is found that lower hybrid wave and ion cyclotron wave induce co-current rotation while electron cyclotron wave induces counter-current rotation. A four-stage imaging for low (L) to high (H) confinement transition gradually emerges and a more detailed verification is urgently expected. The new edge-localized modes mitigation technique with supersonic molecular beam injection was approved to be effective to some extent on HL-2A and KSTAR. It is also found that low collisionality, trapped electron mode to ion temperature gradient transition (or transition of higher to lower density and temperature gradients), fuelling and lithium coating are in favour of inward pinch of particles in tokamak plasmas.

  11. From Dark to Bright: First-Order Perturbation Theory with Analytical Mode Normalization for Plasmonic Nanoantenna Arrays Applied to Refractive Index Sensing

    NASA Astrophysics Data System (ADS)

    Weiss, T.; Mesch, M.; Schäferling, M.; Giessen, H.; Langbein, W.; Muljarov, E. A.

    2016-06-01

    We present a first-order perturbation theory to calculate the frequency shift and linewidth change of photonic resonances in one- and two-dimensional periodic structures under modifications of the surrounding refractive index. Our method is based on the resonant state expansion, for which we extend the analytical mode normalization to periodic structures. We apply this theory to calculate the sensitivity of bright dipolar and much darker quadrupolar plasmonic modes by determining the maximum shift and optimal sensing volume.

  12. From Dark to Bright: First-Order Perturbation Theory with Analytical Mode Normalization for Plasmonic Nanoantenna Arrays Applied to Refractive Index Sensing.

    PubMed

    Weiss, T; Mesch, M; Schäferling, M; Giessen, H; Langbein, W; Muljarov, E A

    2016-06-10

    We present a first-order perturbation theory to calculate the frequency shift and linewidth change of photonic resonances in one- and two-dimensional periodic structures under modifications of the surrounding refractive index. Our method is based on the resonant state expansion, for which we extend the analytical mode normalization to periodic structures. We apply this theory to calculate the sensitivity of bright dipolar and much darker quadrupolar plasmonic modes by determining the maximum shift and optimal sensing volume. PMID:27341256

  13. Canard solution and its asymptotic approximation in a second-order nonlinear singularly perturbed boundary value problem with a turning point

    NASA Astrophysics Data System (ADS)

    Shen, Jianhe; Han, Maoan

    2014-08-01

    This paper considers the existence and uniformly valid asymptotic approximation of canard solutions in a second-order nonlinear singularly perturbed boundary value problem with a turning point. We get the main results by constructing the asymptotic solution first and then defining a couple of upper and lower solutions suitably on the basis of the asymptotic solution. Two examples are carried out to illustrate and verify the theoretical results.

  14. 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

  15. Examples to Accompany "Descriptive Cataloging of Rare Books, 2nd Edition."

    ERIC Educational Resources Information Center

    Association of Coll. and Research Libraries, Chicago, IL.

    This book is intended to be used with "Descriptive Cataloging of Rare Books," 2nd edition (DCRB) as an illustrative aid to catalogers and others interested in or needing to interpret rare book cataloging. As such, it is to be used in conjunction with the rules it illustrates, both in DCRB and in "Anglo-American Cataloging Rules," 2nd edition…

  16. 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.

  17. 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

  18. 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

  19. 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.

  20. 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.

  1. 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

  2. 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

  3. MAGAZINE E30. VIEW FROM BETWEEN 1ST AND 2ND BLAST WALL ...

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

    MAGAZINE E-30. VIEW FROM BETWEEN 1ST AND 2ND BLAST WALL LOOKING TO THE REAR OF THE MAGAZINE. - Naval Magazine Lualualei, Waikele Branch, Tunnel Magazine Type, Waikakalaua & Kipapa Gulches, Pearl City, Honolulu County, HI

  4. 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

  5. 12. Bldg #13, 2nd floor, interior stone walls w/windows and ...

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

    12. Bldg #13, 2nd floor, interior stone walls w/windows and bent pipe thru wall L and light bulbs in ceiling, to NE - Lawrence Machine Shop, Building No. 13, Union & Canal Streets, Lawrence, Essex County, MA

  6. 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

  7. 2nd U.S. Case of Bacteria Resistant to Last-Resort Antibiotic

    MedlinePlus

    ... news/fullstory_159807.html 2nd U.S. Case of Bacteria Resistant to Last-Resort Antibiotic Scientists concerned it ... the United States who was infected with a bacteria that is resistant to an antibiotic of last ...

  8. Front elevation of Rostrum with 2nd Division American Expeditionary Force ...

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

    Front elevation of Rostrum with 2nd Division American Expeditionary Force Monument in foreground, view to northwest - Cypress Hills National Cemetery, Jamaica Avenue Unit, 625 Jamaica Avenue, Brooklyn, Kings County, NY

  9. 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

  10. 73. VIEW OF NORTHWEST SIDE OF 2ND TEE, LOOKING NORTHWEST, ...

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

    73. VIEW OF NORTHWEST SIDE OF 2ND TEE, LOOKING NORTHWEST, SHOWING STEPPED PLATFORM, BENCHES, AND LIGHT STANDARDS - Huntington Beach Municipal Pier, Pacific Coast Highway at Main Street, Huntington Beach, Orange County, CA

  11. 21. VIEW FROM INTERIOR OF 2ND FLOOR ARCHED WINDOW WITH ...

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

    21. VIEW FROM INTERIOR OF 2ND FLOOR ARCHED WINDOW WITH HOLLOW STEEL SASH AND POLISHED PLATE WIRE GLASS. THIS WINDOW IS AT THE FRONT OF THE BUILDING. - Pacific Telephone & Telegraph Company Building, 1519 Franklin Street, Oakland, Alameda County, CA

  12. 77 FR 53862 - Antidumping or Countervailing Duty Order, Finding, or Suspended Investigation; Advance...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-09-04

    ... Countervailing Duty Orders; Policy Bulletin, 63 FR 18871 (April 16, 1998). The Notice of Initiation of Five-Year...) Dana Mermelstein (202) (2nd Review). 482-1391 Silicomanganese from Venezuela (A-307-820) (2nd...

  13. 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.

  14. Second-Order Perturbation Theory for Fractional Occupation Systems: Applications to Ionization Potential and Electron Affinity Calculations.

    PubMed

    Su, Neil Qiang; Xu, Xin

    2016-05-10

    Recently, we have developed an integration approach for the calculations of ionization potentials (IPs) and electron affinities (EAs) of molecular systems at the level of second-order Møller-Plesset (MP2) (Su, N. Q.; Xu, X. J. Chem. Theory Comput. 11, 4677, 2015), where the full MP2 energy gradient with respect to the orbital occupation numbers was derived but only at integer occupations. The theory is completed here to cover the fractional occupation systems, such that Slater's transition state concept can be used to have accurate predictions of IPs and EAs. Antisymmetrized Goldstone diagrams have been employed for interpretations and better understanding of the derived equations, where two additional rules were introduced in the present work specifically for hole or particle lines with fractional occupation numbers. PMID:27010405

  15. Transient 2(nd) Degree Av Block Mobitz Type II: A Rare Finding in Dengue Haemorrhagic Fever.

    PubMed

    Nigam, Ashwini Kumar; Singh, Omkar; Agarwal, Ayush; Singh, Amit K; Yadav, Subhash

    2015-05-01

    Dengue has been a major problem as endemic occurs almost every year and causes a state of panic due to lack of proper diagnostic methods and facilities for proper management. Patients presenting with classical symptoms are easy to diagnose, however as a large number of cases occur every year, a number of cases diagnosed with dengue fever on occasion presents with atypical manifestations, which cause extensive evaluation of the patients, unnecessary referral to higher centre irrespective of the severity and therefore a rough idea of these manifestations must be present in the backdrop in order to prevent these problems. Involvement of cardiovascular system in dengue has been reported in previous studies, and they are usually benign and self-limited. The importance of study of conduction abnormalities is important as sometimes conduction blocks are the first sign of acute myocarditis in patients of Dengue Hemorrhagic Fever in shock. We present here a case of 2(nd) Degree Mobitz Type II atrioventricular AV block in a case of Dengue Hemorrhagic fever reverting to the normal rhythm in recovery phase and no signs thereafter on follow up. PMID:26155512

  16. Construction of Giant-Spin Hamiltonians from Many-Spin Hamiltonians by Third-Order Perturbation Theory and Application to an Fe3 Cr Single-Molecule Magnet.

    PubMed

    Tabrizi, Shadan Ghassemi; Arbuznikov, Alexei V; Kaupp, Martin

    2016-05-10

    A general giant-spin Hamiltonian (GSH) describing an effective spin multiplet of an exchange-coupled metal cluster with dominant Heisenberg interactions was derived from a many-spin Hamiltonian (MSH) by treating anisotropic interactions at the third order of perturbation theory. Going beyond the existing second-order perturbation treatment allows irreducible tensor operators of rank six (or corresponding Stevens operator equivalents) in the GSH to be obtained. Such terms were found to be of crucial importance for the fitting of high-field EPR spectra of a number of single-molecule magnets (SMMs). Also, recent magnetization measurements on trigonal and tetragonal SMMs have found the inclusion of such high-rank axial and transverse terms to be necessary to account for experimental data in terms of giant-spin models. While mixing of spin multiplets by local zero-field splitting interactions was identified as the major origin of these contributions to the GSH, a direct and efficient microscopic explanation had been lacking. The third-order approach developed in this work is used to illustrate the mapping of an MSH onto a GSH for an S=6 trigonal Fe3 Cr complex that was recently investigated by high-field EPR spectroscopy. Comparisons between MSH and GSH consider the simulation of EPR data with both Hamiltonians, as well as locations of diabolical points (conical intersections) in magnetic-field space. The results question the ability of present high-field EPR techniques to determine high-rank zero-field splitting terms uniquely, and lead to a revision of the experimental GSH parameters of the Fe3 Cr SMM. Indeed, a bidirectional mapping between MSH and GSH effectively constrains the number of free parameters in the GSH. This notion may in the future facilitate spectral fitting for highly symmetric SMMs. PMID:27062248

  17. Analytic gradient for second order Møller-Plesset perturbation theory with the polarizable continuum model based on the fragment molecular orbital method.

    PubMed

    Nagata, Takeshi; Fedorov, Dmitri G; Li, Hui; Kitaura, Kazuo

    2012-05-28

    A new energy expression is proposed for the fragment molecular orbital method interfaced with the polarizable continuum model (FMO/PCM). The solvation free energy is shown to be more accurate on a set of representative polypeptides with neutral and charged residues, in comparison to the original formulation at the same level of the many-body expansion of the electrostatic potential determining the apparent surface charges. The analytic first derivative of the energy with respect to nuclear coordinates is formulated at the second-order Møller-Plesset (MP2) perturbation theory level combined with PCM, for which we derived coupled perturbed Hartree-Fock equations. The accuracy of the analytic gradient is demonstrated on test calculations in comparison to numeric gradient. Geometry optimization of the small Trp-cage protein (PDB: 1L2Y) is performed with FMO/PCM/6-31(+)G(d) at the MP2 and restricted Hartree-Fock with empirical dispersion (RHF/D). The root mean square deviations between the FMO optimized and NMR experimental structure are found to be 0.414 and 0.426 Å for RHF/D and MP2, respectively. The details of the hydrogen bond network in the Trp-cage protein are revealed. PMID:22667545

  18. Nuclear magnetic resonance secondary shifts of a light-harvesting 2 complex reveal local backbone perturbations induced by its higher-order interactions.

    PubMed

    Pandit, Anjali; Wawrzyniak, Piotr K; van Gammeren, Adriaan J; Buda, Francesco; Ganapathy, Swapna; de Groot, Huub J M

    2010-01-26

    Protein nuclear magnetic resonance (NMR) secondary chemical shifts are widely used to predict the secondary structure, and in solid-state NMR, they are often the only unambiguous structural parameters available. However, the employed prediction methods are empirical in nature, relying on the assumption that secondary shifts are only affected by shielding effects of neighboring atoms. We analyzed the secondary shifts of a photosynthetic membrane protein with a high density of chromophores and very tight packing, the light-harvesting 2 (LH2) complex of Rhodopseudomonas acidophila. A relation was found between secondary shift anomalies and protein-protein or pigment-protein tertiary and quaternary contacts. For several residues, including the bacteriochlorophyll-coordinating histidines (alphaH31 and betaH30) and the phenylalanine alphaF41 that has strongly twisted C(b)-C(a)-C and C(a)-C-N conformations in the LH2 crystal structure, the perturbing effects on the backbone chemical shifts were tested by density functional theory (DFT) calculations. We propose that higher-order interactions in the tightly packed complex can induce localized perturbations of the backbone conformation and electronic structure, related to functional pigment-protein or protein-protein interactions. PMID:19954238

  19. Technical decision-making with higher order structure data: specific binding of a nonionic detergent perturbs higher order structure of a therapeutic monoclonal antibody.

    PubMed

    Budyak, Ivan L; Doyle, Brandon L; Weiss, William F

    2015-04-01

    Robust higher order structure (HOS) characterization capability and strategy are critical throughout biopharmaceutical development from initial candidate selection and formulation screening to process optimization and manufacturing. This case study describes the utility of several orthogonal HOS methods as investigational tools during purification process development. An atypically high level of residual detergent in a development drug substance batch of a therapeutic monoclonal antibody triggered a root cause investigation. Several orthogonal biophysical techniques were used to uncover and characterize a specific interaction between the detergent and the antibody. Isothermal titration calorimetry (ITC) was used to quantify the molar ratio and affinity of the binding event, and circular dichroism (CD) spectroscopy and differential scanning calorimetry (DSC) were used to evaluate corresponding impacts on secondary/tertiary structure and thermal stability, respectively. As detergents are used routinely in biopharmaceutical processing, this case study highlights the value and power of HOS data in informing technical investigations and underlines the importance of HOS characterization as a component of overall biopharmaceutical analytical control strategy. PMID:25545760

  20. Communication: The description of strong correlation within self-consistent Green's function second-order perturbation theory

    NASA Astrophysics Data System (ADS)

    Phillips, Jordan J.; Zgid, Dominika

    2014-06-01

    We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix form in an atomic orbital basis, where the Green's function and self-energy are built on the imaginary frequency and imaginary time domain, respectively, and fast Fourier transform is used to efficiently transform these quantities as needed. We apply this method to several archetypical examples of strong correlation, such as a H32 finite lattice that displays a highly multireference electronic ground state even at equilibrium lattice spacing. In all cases, GF2 gives a physically meaningful description of the metal to insulator transition in these systems, without resorting to spin-symmetry breaking. Our results show that self-consistent Green's function many-body theory offers a viable route to describing strong correlations while remaining within a computationally tractable single-particle formalism.

  1. Communication: The description of strong correlation within self-consistent Green's function second-order perturbation theory

    SciTech Connect

    Phillips, Jordan J. Zgid, Dominika

    2014-06-28

    We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix form in an atomic orbital basis, where the Green's function and self-energy are built on the imaginary frequency and imaginary time domain, respectively, and fast Fourier transform is used to efficiently transform these quantities as needed. We apply this method to several archetypical examples of strong correlation, such as a H{sub 32} finite lattice that displays a highly multireference electronic ground state even at equilibrium lattice spacing. In all cases, GF2 gives a physically meaningful description of the metal to insulator transition in these systems, without resorting to spin-symmetry breaking. Our results show that self-consistent Green's function many-body theory offers a viable route to describing strong correlations while remaining within a computationally tractable single-particle formalism.

  2. 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.

  3. 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,…

  4. Orbital-optimized third-order Møller-Plesset perturbation theory and its spin-component and spin-opposite scaled variants: Application to symmetry breaking problems

    NASA Astrophysics Data System (ADS)

    Bozkaya, Uǧur

    2011-12-01

    In this research, orbital-optimized third-order Møller-Plesset perturbation theory (OMP3) and its spin-component and spin-opposite scaled variants (SCS-OMP3 and SOS-OMP3) are introduced. Using a Lagrangian-based approach, an efficient, quadratically convergent algorithm for variational optimization of the molecular orbitals (MOs) for third-order Møller-Plesset perturbation theory (MP3) is presented. Explicit equations for response density matrices, the MO gradient, and Hessian are reported in spin-orbital form. The OMP3, SCS-OMP3, and SOS-OMP3 approaches are compared with the second-order Møller-Plesset perturbation theory (MP2), MP3, coupled-cluster doubles (CCD), optimized-doubles (OD), and coupled-cluster singles and doubles (CCSD) methods. All these methods are applied to the O4 +, O3, and seven diatomic molecules. Results demonstrate that the OMP3 and its variants provide significantly better vibrational frequencies than MP3, CCSD, and OD for the molecules where the symmetry-breaking problems are observed. For O4 +, the OMP3 prediction, 1343 cm-1, for ω6 (b3u) mode, where symmetry-breaking appears, is even better than presumably more reliable methods such as Brueckner doubles (BD), 1194 cm-1, and OD, 1193 cm-1, methods (the experimental value is 1320 cm-1). For O3, the predictions of SCS-OMP3 (1143 cm-1) and SOS-OMP3 (1165 cm-1) are remarkably better than the more robust OD method (1282 cm-1); the experimental value is 1089 cm-1. For the seven diatomics, again the SCS-OMP3 and SOS-OMP3 methods provide the lowest average errors, |Δωe| = 44 and |Δωe| = 35 cm-1, respectively, while for OD, |Δωe| = 161 cm-1and CCSD |Δωe| = 106 cm-1. Hence, the OMP3 and especially its spin-scaled variants perform much better than the MP3, CCSD, and more robust OD approaches for considered test cases. Therefore, considering both the computational cost and the reliability, SCS-OMP3 and SOS-OMP3 appear to be the best methods for the symmetry-breaking cases, based on

  5. Perturbation on hyperfine-enhanced 141Pr nuclear spin dynamics associated with antiferroquadrupolar order in PrV2Al20

    NASA Astrophysics Data System (ADS)

    Ito, T. U.; Higemoto, W.; Sakai, A.; Tsujimoto, M.; Nakatsuji, S.

    2015-09-01

    The nature of multipolar order and hyperfine-enhanced (HE) 141Pr nuclear spin dynamics in PrV2Al20 was investigated using the muon spin relaxation technique. No explicit sign of time-reversal symmetry breaking was found below the multipolar order temperature TQ˜0.6 K in a zero applied field as anticipated on the basis of the antiferroquadrupolar (AFQ) order picture proposed by Sakai and Nakatsuji [J. Phys. Soc. Jpn. 80, 063701 (2011), 10.1143/JPSJ.80.063701]. Further evidence of the nonmagnetic ground state was obtained from the observation of HE 141Pr nuclear spin fluctuations in the MHz scale. A marked increase in the muon spin-lattice relaxation rate (1 /T1 ,μ) was observed below 1 K with decreasing temperature, which was attributed to the perturbation on the HE 141Pr nuclear spin dynamics associated with the development of AFQ correlations. The longitudinal field dependence of 1 /T1 ,μ revealed that the enhanced 141Pr nuclear spin accidentally has an effective gyromagnetic ratio close to that of the muon.

  6. 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. PMID:11916063

  7. The Beta Pictoris Circumstellar Disk (5202; 2ND Visit)

    NASA Astrophysics Data System (ADS)

    Trauger, John

    1994-01-01

    We propose new methods to examine the circumstellar disk around Beta Pictoris in order to determine its radial profile, and hence (in combination with IRAS data) to fix its albedo and temperature profile. These observations will extend previous extensive ground based coronagraphic observations, and models by members of the science team. The data will enable us to understand better the central clearing in the disk and whether it is caused by sublimation or possible planet formation. They will also constrain the geometric propertie of the disk including its inclination angle, vertical thickness and radial profile. Such observations limit models for the dynamics of the disk, includin its velocity dispersion and hence mass distribution, and radial mass transport mechanisms. If density waves or clear zones are observed, they will give indirect evidence for the presence of massive bodies (planets) in the disk. Th observations involve a combination of roll deconvolution, polarizers and PSF modelling in order to allow the central stellar image and associated scattered light to be subtracted. Ultraviolet observations will constrain the particle size distribution and the composition of the disk. The observations require the new capabilities in WFPC2 provided by the absence of bleeding across columns, as well as its UV capabilities.

  8. 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.

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

    PubMed

    Sepkoski, J J

    1992-03-01

    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. PMID:11542296

  10. Regional Observations of North Korea Explosions: 1st and 2nd Tests

    NASA Astrophysics Data System (ADS)

    Chi, Heon Cheol; Shin, Jin Soo; Lee, Hee-Il; Park, Jung Ho; Sheen, Dong-Hoon; Kim, Geunyoung; Kim, Tea Sung; Che, Il-Young; Lim, In-Seub

    2010-05-01

    Through data exchanging with China, Russia and Japan, KIGAM could monitor North Korea explosion tests in near real time with azimuthally full coverage from the test site. Except for the East Sea (Japan Sea) side, the seismic stations are distributed uniformly along the boundaries of North Korea and adjacent countries. The error ellipses of epicentral determination of test site for 1st and 2nd tests showed almost identical pattern if they were separately calculated with the same configuration of stations. But the combined use of the 1st and the 2nd test data showed that the 2nd test site was moved approximately 2 Km westward from 1st site. The Pn/Lg spectral ratio clearly discriminate these events from two nearby natural earthquakes above 4 Hz. Full moment tensor inversion also indicate the 2nd test had a very large isotropic component. But mb-Ms discrimination, which has been considered one of the most reliable discriminants for separating explosions and earthquakes, did not show apparently the known pattern of explosion for both tests. Body wave magnitude, mb(Pn) of the 2nd test, which was evaluated as 4.5 by KIGAM, varies with directional location of stations widely from 4.1 to 5.2. The magnitude obtained from Lg, mb(Lg), showed narrow variation between 4.3 to 4.7 with the average of 4.5. In the case of both 1st and 2nd tests, both mb(Pn) and mb(Lg) showed equivalently large variation with directional station location. These variations are mainly due to lateral variation of crustal structures surrounding the test site. Remarkably mb(Lg) showed very linear relationship with mb(Pn). By considering attenuation characteristics according to the propagation path, the variations could be effectively reduced. The cut-off frequencies of P wave of both tests showed no or negligible difference even though the estimated yield of the 2nd test were much larger than that of the 1st one. The ratio of P-wave amplitudes of two tests showed from 2 to 3.1 times. Correspondingly the

  11. Monitoring North Korea Explosions: Status and Result of 1st and 2nd Tests (Invited)

    NASA Astrophysics Data System (ADS)

    Chi, H.; Lee, H.; Shin, J.; Park, J.; Sheen, D.; Kim, G.; Che, I.; Lim, I.; Kim, T.

    2009-12-01

    Through data exchanging with China, Russia and Japan, KIGAM could monitor North Korea explosion tests in near real time with azimuthal full coverage from the test site. Except for the East Sea (Japan Sea) side, the seismic stations are distributed uniformly along the boundaries of North Korea and adjacent countries, and only stations with the distance of 200 to 550 Km from the test site were considered. Irrespective of azimuthal directions of stations from the test site, the conventional discrimination, Pn/Lg spectral ratio clearly showed that both tests were explosion. But mb-Ms discrimination did not show apparently the known pattern of explosion for both tests. Body wave magnitude, mb(Pn) of 2nd test, which was evaluated as 4.5 by KIGAM, varies with directional location of stations widely from 4.1 to 5.2. The magnitude obtained from Lg, mb(Lg), showed narrow variation between 4.3 to 4.7 with the average of 4.5. In the case of 1st test, both mb(Pn) and mb(Lg) showed equivalently large variation with directional station location. The error ellipses of epicentral determination of test site for 1st and 2nd tests showed almost identical pattern if they were separately calculated with the same configuration of stations. But the combined use of 1st and 2nd test data showed that 2nd test site was moved approximately 2 Km westward from 1st site. The cut-off frequencies of P wave of 1st and 2nd tests showed no or negligible difference even though the estimated yield of 2nd test were much larger than that of 1st one. The ratio of 1st and 2nd P-wave amplitudes showed from 2 to 3.1 times. Correspondingly the estimated energy or yield were ranged from 4 to roughly 10 times. KIGAM evaluated the yield of 2nd test were 8 times in the average larger than that of 1st one.

  12. 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

  13. 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.

  14. Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study.

    PubMed

    Phung, Quan Manh; Wouters, Sebastian; Pierloot, Kristine

    2016-09-13

    The complete active space second order perturbation theory (CASPT2) can be extended to larger active spaces by using the density matrix renormalization group (DMRG) as solver. Two variants are commonly used: the costly DMRG-CASPT2 with exact 4-particle reduced density matrix (4-RDM) and the cheaper DMRG-cu(4)-CASPT2 in which the 4-cumulant is discarded. To assess the accuracy and limitations of the latter variant DMRG-cu(4)-CASPT2 we study the spin state energetics of iron porphyrin Fe(P) and its model compound FeL2, a model for the active center of NiFe hydrogenase, and manganese-oxo porphyrin MnO(P)(+); a series of excited states of chromium hexacarbonyl Cr(CO)6; and the interconversion of two Cu2O2(2+) isomers. Our results clearly show that PT2 on top of DMRG is essential in order to obtain quantitative results for transition metal complexes. Good results were obtained with DMRG-cu(4)-CASPT2 as compared to full CASPT2 and DMRG-CASPT2 in calculations with small- and medium-sized active spaces. In calculations with large-sized active spaces (∼30 active orbitals), the performance of DMRG-cu(4)-CASPT2 is less impressive due to the errors originating from both the finite number of renormalized states m and the 4-RDM approximation. PMID:27547847

  15. Oxygen ordering in the high-Tc superconductor HgBa2CaCu2O6+δ as revealed by perturbed angular correlation

    NASA Astrophysics Data System (ADS)

    Mendonça, T. M.; Correia, J. G.; Haas, H.; Odier, P.; Tavares, P. B.; da Silva, M. R.; Lopes, A. M. L.; Pereira, A. M.; Gonçalves, J. N.; Amaral, J. S.; Darie, C.; Araujo, J. P.

    2011-09-01

    Lattice sites and collective ordering of oxygen atoms in HgBa2CaCu2O6+δ were studied using the perturbed angular correlation (PAC) technique at ISOLDE/CERN. The electric field gradients (EFG) at 199mHg nuclei have been measured as functions of oxygen doping on the Hg planes, above and below Tc. In comparison with the results obtained for oxygen and fluorine doping in Hg-1201, the analysis shows a different oxygen ordering exhibited by Hg-1212. Moreover, for all studied cases, the experimental results show that at a local scale there is non uniform oxygen distribution. A series of ab initio EFG calculations allowed to infer that at low concentrations, regions without oxygen coexist with regions where O2δ dumbbell molecules are located at the center of the Hg mesh. On the other side, at high concentrations, O2δ dumbbell molecules coexist with single Oδ atoms occupying the center of the Hg mesh. The present results suggest that oxygen sits on the Hg planes in the form of a molecule and not as a single atom.

  16. 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.

  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. 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

  19. 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)

  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. 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...

  2. 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.

  3. 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.

  4. 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.…

  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. 70. VIEW OF LIFEGUARD TOWER ON SOUTHEAST SIDE OF 2ND ...

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

    70. VIEW OF LIFEGUARD TOWER ON SOUTHEAST SIDE OF 2ND TEE (LEFT) AND NORTHWEST SIDE OF TEE (RIGHT), WITH VIEW OF PILINGS, LOOKING SOUTH-SOUTHWEST - Huntington Beach Municipal Pier, Pacific Coast Highway at Main Street, Huntington Beach, Orange County, CA

  7. 71. VIEW OF NORTHWEST SIDE OF 2ND TEE (LEFT), SHOWING ...

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

    71. VIEW OF NORTHWEST SIDE OF 2ND TEE (LEFT), SHOWING VIEW OF PILINGS, LIFEGURD TOWER ON SOUTHEAST SIDE OF TEE (RIGHT), LOOKING EAST-NORTHEAST - Huntington Beach Municipal Pier, Pacific Coast Highway at Main Street, Huntington Beach, Orange County, CA

  8. 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.

  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. 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).

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

    PubMed

    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

  12. 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

  13. 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.

  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. PMID:26592275

  15. Numerical and perturbative computations of solitary waves of the Benjamin-Ono equation with higher order nonlinearity using Christov rational basis functions

    NASA Astrophysics Data System (ADS)

    Boyd, John P.; Xu, Zhengjie

    2012-02-01

    Computation of solitons of the cubically-nonlinear Benjamin-Ono equation is challenging. First, the equation contains the Hilbert transform, a nonlocal integral operator. Second, its solitary waves decay only as O(1/∣ x∣ 2). To solve the integro-differential equation for waves traveling at a phase speed c, we introduced the artificial homotopy H( uXX) - c u + (1 - δ) u2 + δu3 = 0, δ ∈ [0, 1] and solved it in two ways. The first was continuation in the homotopy parameter δ, marching from the known Benjamin-Ono soliton for δ = 0 to the cubically-nonlinear soliton at δ = 1. The second strategy was to bypass continuation by numerically computing perturbation series in δ and forming Padé approximants to obtain a very accurate approximation at δ = 1. To further minimize computations, we derived an elementary theorem to reduce the two-parameter soliton family to a parameter-free function, the soliton symmetric about the origin with unit phase speed. Solitons for higher order Benjamin-Ono equations are also computed and compared to their Korteweg-deVries counterparts. All computations applied the pseudospectral method with a basis of rational orthogonal functions invented by Christov, which are eigenfunctions of the Hilbert transform.

  16. Second-Order Møller-Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach.

    PubMed

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

    2012-11-13

    A novel algorithm, based on a hybrid Gaussian and plane waves (GPW) approach, is developed for the canonical second-order Møller-Plesset perturbation energy (MP2) of finite and extended systems. The key aspect of the method is that the electron repulsion integrals (ia|λσ) are computed by direct integration between the products of Gaussian basis functions λσ and the electrostatic potential arising from a given occupied-virtual pair density ia. The electrostatic potential is obtained in a plane waves basis set after solving the Poisson equation in Fourier space. In particular, for condensed phase systems, this scheme is highly efficient. Furthermore, our implementation has low memory requirements and displays excellent parallel scalability up to 100 000 processes. In this way, canonical MP2 calculations for condensed phase systems containing hundreds of atoms or more than 5000 basis functions can be performed within minutes, while systems up to 1000 atoms and 10 000 basis functions remain feasible. Solid LiH has been employed as a benchmark to study basis set and system size convergence. Lattice constants and cohesive energies of various molecular crystals have been studied with MP2 and double-hybrid functionals. PMID:26605583

  17. 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.

  18. The efficiency of second order orientation coherence detection.

    PubMed

    Baldwin, Alex S; Husk, Jesse S; Edwards, Lauren; Hess, Robert F

    2015-04-01

    Neurons in early visual cortex respond to both luminance- (1st order) and contrast-modulated (2nd order) local features in the visual field. In later extra-striate areas neurons with larger receptive fields integrate information across the visual field. For example, local luminance-defined features can be integrated into contours and shapes. Evidence for the global integration of features defined by contrast-modulation is less well established. While good performance in some shape tasks has been demonstrated with 2nd order stimuli, the integration of contours fails with 2nd order elements. Recently we developed a global orientation coherence task that is more basic than contour integration, bearing similarity to the well-established global motion coherence task. Similar to our previous 1st order result for this task, we find 2nd order coherence detection to be scale-invariant. There was a small but significant threshold elevation for 2nd order relative to 1st order. We used a noise masking approach to compare the efficiency of orientation integration for the 1st and 2nd order. We find a significant deficit for 2nd order detection at both the local and global level, however the small size of this effect stands in stark contrast against previous results from contour-integration experiments, which are almost impossible with 2nd order stimuli. PMID:25749675

  19. Frame independent cosmological perturbations

    SciTech Connect

    Prokopec, Tomislav; Weenink, Jan E-mail: j.g.weenink@uu.nl

    2013-09-01

    We compute the third order gauge invariant action for scalar-graviton interactions in the Jordan frame. We demonstrate that the gauge invariant action for scalar and tensor perturbations on one physical hypersurface only differs from that on another physical hypersurface via terms proportional to the equation of motion and boundary terms, such that the evolution of non-Gaussianity may be called unique. Moreover, we demonstrate that the gauge invariant curvature perturbation and graviton on uniform field hypersurfaces in the Jordan frame are equal to their counterparts in the Einstein frame. These frame independent perturbations are therefore particularly useful in relating results in different frames at the perturbative level. On the other hand, the field perturbation and graviton on uniform curvature hypersurfaces in the Jordan and Einstein frame are non-linearly related, as are their corresponding actions and n-point functions.

  20. Individual Differences In The School Performance of 2nd-Grade Children Born to Low-Income Adolescent Mothers

    ERIC Educational Resources Information Center

    Apiwattanalunggarn, Kunlakarn Lekskul; Luster, Tom

    2005-01-01

    The purpose of this study was to investigate factors that contribute to individual differences in the school performance of 2nd-grade children born to adolescent mothers. The sample of this study was 90 low-income adolescent mothers and their children. Data were collected from the adolescent mothers and their first-born children, now in 2nd grade,…

  1. 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.

  2. 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.

  3. 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.

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

    PubMed

    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 NH3, CO2, formic acid, and benzene. PMID:26373996

  5. 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.

  6. Orbit determination modelling analysis using GPS including perturbations due to geopotential coefficients of high degree and order, solar radiation pressure and luni-solar attraction

    NASA Astrophysics Data System (ADS)

    Vilhena de Moraes, Rodolpho; Cristiane Pardal, Paula; Koiti Kuga, Helio

    The problem of orbit determination consists essentially of estimating parameter values that completely specify the body trajectory in the space, processing a set of information (measure-ments) from this body. Such observations can be collected through a conventional tracking network on Earth or through sensors like GPS. The Global Positioning System (GPS) is a powerful and low cost way to allow the computation of orbits for artificial Earth satellites. The Topex/Poseidon satellite is normally used as a reference for analyzing this system for space positioning. The orbit determination of artificial satellites is a nonlinear problem in which the disturbing forces are not easily modeled, like geopotential and direct solar radiation pressure. Through an onboard GPS receiver it is possible to obtain measurements (pseudo-range and phase) that can be used to estimate the state of the orbit. One intends to analyze the modeling of the orbit of an artificial satellite, using signals of the GPS constellation and least squares algorithms as a method of estimation, with the aim of analyzing the performance of the orbit estimation process. Accuracy is not the main goal; one pursues to verify how differences of modeling can affect the final accuracy of the orbit determination. To accomplish that, the following effects were considered: perturbations up to high degree and order for the geopoten-tial coefficients; direct solar radiation pressure, Sun attraction, and Moon attraction. It was also considered the position of the GPS antenna on the satellite body that, lately, consists of the influence of the satellite attitude motion in the orbit determination process. Although not presenting the ultimate accuracy, pseudo-range measurements corrected from ionospheric effects were considered enough to such analysis. The measurements were used to feed the batch least squares orbit determination process, in order to yield conclusive results about the orbit modeling issue. An application

  7. Very large millimeter/submillimeter array toward search for 2nd Earth

    NASA Astrophysics Data System (ADS)

    Iguchi, Satoru; Saito, Masao

    2012-09-01

    ALMA (Atacama Large Millimeter/submillimeter Array) is a revolutionary radio telescope and its early scientific operation has just started. It is expected that ALMA will resolve several cosmic questions and will give us a new cosmic view. Our passion for astronomy naturally goes beyond ALMA because we believe that the 21st-century astronomy should pursue the new scientific frontier. In this conference, we propose a project of the future radio telescope to search for habitable planets and finally detect 2nd Earth as a migratable planet. Detection of 2nd Earth is one of the ultimate dreams not only for astronomers but also for every human being. To directly detect 2nd Earth, we have to carefully design the sensitivity and angular resolution of the telescope by conducting trade-off analysis between the confusion limit and the minimum detectable temperature. The result of the sensitivity analysis is derived assuming an array that has sixty-four (64) 50-m antennas with 25-μm surface accuracy mainly located within the area of 300 km (up to 3000 km), dual-polarization SSB receivers with the best noise temperature performance achieved by ALMA or better, and IF bandwidth of 128 or 256 GHz.. We temporarily name this telescope "Very Large Millimeter/Submillimeter Array (VLMSA)". Since this sensitivity is extremely high, we can have a lot of chances to study the galaxy, star formation, cosmology and of course the new scientific frontier.

  8. 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.

  9. 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.

  10. Synthesis, structural characterization, and electrical properties of new oxygen-deficient tetragonal tungsten bronzes Ba2NdTi(2+x)Nb(3-x)O(15-x/2).

    PubMed

    Prades, Marta; Masó, Nahum; Beltrán, Héctor; Cordoncillo, Eloisa; West, Anthony R

    2013-02-18

    Oxygen-deficient tetragonal tungsten bronzes ceramics with general formula Ba(2)NdTi(2+x)Nb(3-x)O(15-x/2) (0 ≤ x ≤ 1) have been prepared by low temperature solvothermal synthesis with final firing of ceramics at 1100-1300 °C in air. Rietveld refinement of X-ray powder diffraction (XRD) and neutron powder diffraction (ND) data at room temperature of Ba(2)NdTi(3)Nb(2)O(14.5) shows that Ba and Nd are ordered on the 15-coordinate and 12-coordinate sites, respectively, Ti and Nb are disordered nonrandomly over the two octahedral sites, and oxygen vacancies locate preferentially in the coordination sphere of Nd and Ti/Nb(2) atoms. Variable frequency impedance measurements show that samples are poor electronic conductors with activation energies ∼0.8-1.7 eV, conductivities ∼1 × 10(-5) S cm(-1) at ∼725 °C and with some evidence of oxide ion conduction at high x values. Composition dependence of the dielectric properties shows a transition from classic ferroelectric behavior with Ba(2)NdTi(2)Nb(3)O(15) to a relaxor-like behavior with Ba(2)NdTi(3)Nb(2)O(14.5). At intermediate compositions, both a first-order phase transition and relaxor-like behavior are observed. PMID:23360368

  11. PERTURBING LIGNIFICATION

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Perturbing lignification is possible in multiple and diverse ways. Without obvious growth/development phenotypes, transgenic angiosperms can have lignin levels reduced to half the normal level, can have compositions ranging from very high-guaiacyl/low-syringyl to almost totally syringyl, and can eve...

  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

    NASA Astrophysics Data System (ADS)

    Kim, Inkoo; Lee, Yoon Sup

    2014-10-01

    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. 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

  14. [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. PMID:27426066

  15. Advanced Electron Beam Ion Sources (EBIS) for 2-nd generation carbon radiotherapy facilities

    NASA Astrophysics Data System (ADS)

    Shornikov, A.; Wenander, F.

    2016-04-01

    In this work we analyze how advanced Electron Beam Ion Sources (EBIS) can facilitate the progress of carbon therapy facilities. We will demonstrate that advanced ion sources enable operation of 2-nd generation ion beam therapy (IBT) accelerators. These new accelerator concepts with designs dedicated to IBT provide beams better suited for therapy and, are more cost efficient than contemporary IBT facilities. We will give a sort overview of the existing new IBT concepts and focus on those where ion source technology is the limiting factor. We will analyse whether this limitation can be overcome in the near future thanks to ongoing EBIS development.

  16. Easy Glide in a Coarse-Grained Mg-2Zn-2Nd Alloy

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

    Compression tests were performed at 673 K (400 °C) on a Mg-2Zn-2Nd alloy at the strain rates of 0.1, 0.01, and 0.001/s. The 0.1 and 0.01/s flow curves displayed work hardening to a peak stress at around 0.2 true strain. However, testing at 0.001/s led to steady-state flow at about 22 MPa from 0.03 true strain onwards. Such a steady-state flow is attributed to the predominance of basal slip under these conditions.

  17. The ratio of 2nd to 4th digit length: a new predictor of disease predisposition?

    PubMed

    Manning, J T; Bundred, P E

    2000-05-01

    The ratio between the length of the 2nd and 4th digits is: (a) fixed in utero; (b) lower in men than in women; (c) negatively related to testosterone and sperm counts; and (d) positively related to oestrogen concentrations. Prenatal levels of testosterone and oestrogen have been implicated in infertility, autism, dyslexia, migraine, stammering, immune dysfunction, myocardial infarction and breast cancer. We suggest that 2D:4D ratio is predictive of these diseases and may be used in diagnosis, prognosis and in early life-style interventions which may delay the onset of disease or facilitate its early detection. PMID:10859702

  18. [Infected chorionic hematoma as a cause of infection in the 2nd trimester].

    PubMed

    Weigel, M; Friese, K; Schmitt, W; Strittmatter, H J; Melchert, F

    1992-12-01

    Superinfected subchorionic haematomas are a rare septic focus in the 2nd trimenon. Symptoms being unspecific, the diagnosis has to be made by exclusion, in most cases. As the changes of a successful treatment of the manifest infection is poor, antibiotic prophylaxis as well as close laboratory controls and early antibiotic therapy should be discussed after sonographic diagnosis of an intrauterine haematoma. Two of our three patients reported on having suffered a miscarriage; only one pregnancy could be maintained after spontaneous depletion of the infected haemorrhage. PMID:1490559

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

    PubMed

    Higgins, Stephen T

    2015-11-01

    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 policy makers 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

  20. Efficacy and Safety of rAAV2-ND4 Treatment for Leber's Hereditary Optic Neuropathy.

    PubMed

    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. 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. PMID:26334946

  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. Cosmological Perturbations

    NASA Astrophysics Data System (ADS)

    Lesgourges, J.

    2013-08-01

    We present a self-contained summary of the theory of linear cosmological perturbations. We emphasize the effect of the six parameters of the minimal cosmological model, first, on the spectrum of Cosmic Microwave Background temperature anisotropies, and second, on the linear matter power spectrum. We briefly review at the end the possible impact of a few non-minimal dark matter and dark energy models.

  4. 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

  5. Cosmological perturbations in massive bigravity

    SciTech Connect

    Lagos, Macarena; Ferreira, Pedro G. E-mail: p.ferreira1@physics.ox.ac.uk

    2014-12-01

    We present a comprehensive analysis of classical scalar, vector and tensor cosmological perturbations in ghost-free massive bigravity. In particular, we find the full evolution equations and analytical solutions in a wide range of regimes. We show that there are viable cosmological backgrounds but, as has been found in the literature, these models generally have exponential instabilities in linear perturbation theory. However, it is possible to find stable scalar cosmological perturbations for a very particular choice of parameters. For this stable subclass of models we find that vector and tensor perturbations have growing solutions. We argue that special initial conditions are needed for tensor modes in order to have a viable model.

  6. Liquid theory with high accuracy and broad applicability: Coupling parameter series expansion and non hard sphere perturbation strategy

    NASA Astrophysics Data System (ADS)

    Zhou, Shiqi

    2011-12-01

    Thermodynamic and structural properties of liquids are of fundamental interest in physics, chemistry, and biology, and perturbation approach has been fundamental to liquid theoretical approaches since the dawn of modern statistical mechanics and remains so to this day. Although thermodynamic perturbation theory (TPT) is widely used in the chemical physics community, one of the most popular versions of the TPT, i.e. Zwanzig (Zwanzig, R. W. J. Chem. Phys. 1954, 22, 1420-1426) 1st-order high temperature series expansion (HTSE) TPT and its 2nd-order counterpart under a macroscopic compressibility approximation of Barker-Henderson (Barker, J. A.; Henderson, D. J. Chem. Phys. 1967, 47, 2856-2861), have some serious shortcomings: (i) the nth-order term of the HTSE is involved with reference fluid distribution functions of order up to 2n, and the higher-order terms hence progressively become more complicated and numerically inaccessible; (ii) the performance of the HTSE rapidly deteriorates and the calculated results become even qualitatively incorrect as the temperature of interest decreases. This account deals with the developments that we have made over the last five years or so to advance a coupling parameter series expansion (CPSE) and a non hard sphere (HS) perturbation strategy that has scored some of its greatest successes in overcoming the above-mentioned difficulties. In this account (i) we expatiate on implementation details of our schemes: how input information indispensable to high-order truncation of the CPSE in both the HS and non HS perturbation schemes is calculated by an Ornstein-Zernike integral equation theory; how high-order thermodynamic quantities, such as critical parameters and excess constant volume heat capacity, are extracted from the resulting excess Helmholtz free energy with irregular and inevitable numerical errors; how to select reference potential in the non HS perturbation scheme. (ii) We give a quantitative analysis on why convergence

  7. 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.

  8. Tetragonal ZrO2:Nd3+ nanosphere: Combustion synthesis, luminescence and photoacoustic spectroscopy

    NASA Astrophysics Data System (ADS)

    Gupta, Santosh K.; Chandrasekhar, D.; Kadam, R. M.

    2015-12-01

    Nanocrystalline ZrO2:Nd3+ was synthesised using gel-combustion method and characterized systematically using X-ray diffraction (XRD) and transmission electron microscopy (TEM). Through this route we can stabilize metastable tetragonal phase at 500 °C through addition of 1 mol % Nd3+ which is technologically more important. Optical characterization of the sample was done using photoluminescence (PL) and photoacoustic spectroscopy (PAS). PL studies shows an intense and optimum stimulated emission cross section of 1065 nm peak corresponding to 4F3/2 → 4I11/2 which and thus it can be a probable laser material. PAS is used to investigate electronic absorption of Nd3 in zirconia. Various covalency parameters like nephelauxetic ratio (β), covalency factor (b1/2) and Sinha parameter (δ) were evaluated for pure oxide powder and as well as for Nd3+ doped zirconia.

  9. International symposium on peripheral nerve repair and regeneration and 2nd club Brunelli meeting

    PubMed Central

    2010-01-01

    The International Symposium "Peripheral Nerve Repair and Regeneration and 2nd Club Brunelli Meeting" was held on December 4-5, 2009 in Turin, Italy (Organizers: Bruno Battiston, Stefano Geuna, Isabelle Perroteau, Pierluigi Tos). Interest in the study of peripheral nerve regeneration is very much alive because complete recovery of nerve function almost never occurs after nerve reconstruction and, often, the clinical outcome is rather poor. Therefore, there is a need for defining innovative strategies for improving the success of recovery after nerve lesion and repair and this meeting was intended to discuss, from a multidisciplinary point of view, some of today's most important issues in this scientific field, arising from both basic and clinical neurosciences. PMID:20214775

  10. International symposium on peripheral nerve repair and regeneration and 2nd club Brunelli meeting.

    PubMed

    Turgut, Mehmet; Geuna, Stefano

    2010-01-01

    The International Symposium "Peripheral Nerve Repair and Regeneration and 2nd Club Brunelli Meeting" was held on December 4-5, 2009 in Turin, Italy (Organizers: Bruno Battiston, Stefano Geuna, Isabelle Perroteau, Pierluigi Tos). Interest in the study of peripheral nerve regeneration is very much alive because complete recovery of nerve function almost never occurs after nerve reconstruction and, often, the clinical outcome is rather poor. Therefore, there is a need for defining innovative strategies for improving the success of recovery after nerve lesion and repair and this meeting was intended to discuss, from a multidisciplinary point of view, some of today's most important issues in this scientific field, arising from both basic and clinical neurosciences. PMID:20214775

  11. 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.

  12. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-02-01

    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.

  14. Glass fiber laser at 1. 36. mu. m from SiO sub 2 :Nd

    SciTech Connect

    Hakimi, F.; Po, H.; Tumminelli, R.; McCollum, B.C.; Zenteno, L.; Cho, N.M.; Snitzer, E. )

    1989-10-01

    By adding 14 mol % P{sub 2}O{sub 5} to the core of a SiO{sub 2}:Nd fiber, laser emission was obtained at 1.36 {mu}m. From the fluorescent spectra and laser thresholds for the {sup 4}{ital F}{sub 3/2} to {sup 4}{ital I}{sub 11/2} and {sup 4}{ital F}{sub 3/2} to {sup 4}{ital I}{sub 3/2} transitions, the net gain at 1.36 {mu}m is 0.024 dB/mW, and the ratio of excited-state absorption (the {sup 4}{ital F}{sub 3/2} to {sup 4}{ital G}{sub 1/2} transition) to stimulated emission is estimated to be 0.78.

  15. 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.

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

    PubMed

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

    2014-02-01

    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. PMID:24593593

  17. 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.

  18. The Second Stellar Spectrum and the non-LTE Problem of the 2nd Kind

    NASA Astrophysics Data System (ADS)

    Trujillo Bueno, Javier

    2009-09-01

    This paper presents an overview of the radiative transfer problem of calculating the spectral line intensity and polarization that emerges from a (generally magnetized) astrophysical plasma composed of atoms and molecules whose excitation state is significantly influenced by radiative transitions produced by an anisotropic radiation field. The numerical solution of this non-LTE problem of the 2nd kind is facilitating the physical understanding of the second solar spectrum and the exploration of the complex magnetism of the extended solar atmosphere, but much more could be learned if high-sensitivity polarimeters were developed also for the present generation of night-time telescopes. Interestingly, I find that the population ratio between the levels of some resonance line transitions can be efficiently modulated by the inclination of a weak magnetic field when the anisotropy of the incident radiation is significant, something that could provide a new diagnostic tool in astrophysics.

  19. The planar optics phase sensor: a study for the VLTI 2nd generation fringe tracker

    NASA Astrophysics Data System (ADS)

    Blind, Nicolas; Le Bouquin, Jean-Baptiste; Absil, Olivier; Alamir, Mazen; Berger, Jean-Philippe; Defrère, Denis; Feautrier, Philippe; Hénault, François; Jocou, Laurent; Kern, Pierre; Laurent, Thomas; Malbet, Fabien; Mourard, Denis; Rousselet-Perraut, Karine; Sarlette, Alain; Surdej, Jean; Tarmoul, Nassima; Tatulli, Eric; Vincent, Lionel

    2010-07-01

    In a few years, the second generation instruments of the Very Large Telescope Interferometer (VLTI) will routinely provide observations with 4 to 6 telescopes simultaneously. To reach their ultimate performance, they will need a fringe sensor capable to measure in real time the randomly varying optical paths differences. A collaboration between LAOG (PI institute), IAGL, OCA and GIPSA-Lab has proposed the Planar Optics Phase Sensor concept to ESO for the 2nd Generation Fringe Tracker. This concept is based on the integrated optics technologies, enabling the conception of extremely compact interferometric instruments naturally providing single-mode spatial filtering. It allows operations with 4 and 6 telescopes by measuring the fringes position thanks to a spectrally dispersed ABCD method. We present here the main analysis which led to the current concept as well as the expected on-sky performance and the proposed design.

  20. 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.

  1. [Measurement report on the horizontal position relationship between the umbilicus and the 2nd lum- bar spinal process in adults].

    PubMed

    Zhao, Jingyi; Fu, Liyuan; Wang, Yueqi; Qiu, Wenqi; Yao, Miaojie; Zhao, Baixiao; Guo, Changqing

    2016-04-01

    The impact factors were explored to determine the horizontal positional relationship between the umbilicus and the 2nd lumbar spinal process in adults and to verify the accuracy of the localization of Shenshu (BL 23) via the umbilicus. The position of the umbilicus and the 2nd lumbar spinal process was measured in 100 participants and the data were analyzed through SPSS 20.0 software. It was found that the umbilicus and the 2nd lumbar process were not positioned horizontally. The positional relationship of these two sites was not apparently correlated with gender, age, body weight, body height, BMI, waistline and discomfort of lumbar region. The umbilicus was commonly and posteriorly projected on the site between the 4th and 5th lumbar vertebra. It is explained that the localization of Shenshu (BL23) via the umbilicus is not accurate. PMID:27352498

  2. Perturbative fragmentation

    SciTech Connect

    Kopeliovich, B. Z.; Pirner, H.-J.; Potashnikova, I. K.; Schmidt, Ivan; Tarasov, A. V.

    2008-03-01

    The Berger model of perturbative fragmentation of quarks to pions is improved by providing an absolute normalization and keeping all terms in a (1-z) expansion, which makes the calculation valid at all values of fractional pion momentum z. We also replace the nonrelativistic wave function of a loosely bound pion by the more realistic procedure of projecting to the light-cone pion wave function, which in turn is taken from well known models. The full calculation does not confirm the (1-z){sup 2} behavior of the fragmentation function (FF) predicted in [E. L. Berger, Z. Phys. C 4, 289 (1980); Phys. Lett. 89B, 241 (1980] for z>0.5, and only works at very large z>0.95, where it is in reasonable agreement with phenomenological FFs. Otherwise, we observe quite a different z-dependence which grossly underestimates data at smaller z. The disagreement is reduced after the addition of pions from decays of light vector mesons, but still remains considerable. The process dependent higher twist terms are also calculated exactly and found to be important at large z and/or p{sub T}.

  3. Vector perturbations of galaxy number counts

    NASA Astrophysics Data System (ADS)

    Durrer, Ruth; Tansella, Vittorio

    2016-07-01

    We derive the contribution to relativistic galaxy number count fluctuations from vector and tensor perturbations within linear perturbation theory. Our result is consistent with the the relativistic corrections to number counts due to scalar perturbation, where the Bardeen potentials are replaced with line-of-sight projection of vector and tensor quantities. Since vector and tensor perturbations do not lead to density fluctuations the standard density term in the number counts is absent. We apply our results to vector perturbations which are induced from scalar perturbations at second order and give numerical estimates of their contributions to the power spectrum of relativistic galaxy number counts.

  4. 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.

  5. Effect of torsional twist on 2nd order non-linear optical activity of anthracene and pyrene tricyanofuran derivatives.

    PubMed

    Planells, Miquel; Pizzotti, Maddalena; Nichol, Gary S; Tessore, Francesca; Robertson, Neil

    2014-11-14

    Tricyanofuran (TCF) derivatives attached to both anthracene and pyrene moieties were synthesised and characterised by optical, electrochemical and computational techniques. Both compounds exhibited similar absorption profile as well as electrochemical behaviour, however the pyrene derivative showed 20-fold higher non-linear optical activity measured by the EFISH technique. This huge difference has been assigned to (i) a lower molar absorption and (ii) a higher torsion angle for the anthracene derivative, confirmed by both experimental X-ray diffraction and DFT calculations. Furthermore, we note that the μβ1.907 value of -1700 × 10(-48) esu recorded for the pyrene derivative in CHCl3/pyridine is remarkable for a NLO chromophore lacking a classical push-pull structure. PMID:25264846

  6. Technical Issues Map for the NHI System Interface and Support Systems Area: 2nd Quarter FY07

    SciTech Connect

    Steven R. Sherman

    2007-03-01

    This document provides a mapping of technical issues associated with development of the Next Generation Nuclear Plant (NGNP) intermediate heat transport loop and nuclear hydrogen plant support systems to the work that has been accomplished or is currently underway in the 2nd quarter of FY07.

  7. 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")…

  8. 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;…

  9. 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…

  10. The Influence of Neighborhood Density and Word Frequency on Phoneme Awareness in 2nd and 4th Grades

    ERIC Educational Resources Information Center

    Hogan, Tiffany P.; Bowles, Ryan P.; Catts, Hugh W.; Storkel, Holly L.

    2011-01-01

    Purpose: The purpose of this study was to test the hypothesis that two lexical characteristics--neighborhood density and word frequency--interact to influence performance on phoneme awareness tasks. Methods: Phoneme awareness was examined in a large, longitudinal dataset of 2nd and 4th grade children. Using linear logistic test model, the relation…

  11. 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…

  12. Iron metabolism in African American women during the 2nd and 3rd trimester of a high-risk pregnancy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Objective: To examine iron metabolism during the 2nd and 3rd trimester in African American women classified as a high-risk pregnancy. Design: Longitudinal. Setting: Large, university-based, urban Midwestern medical center. Participants: Convenience sample of 47 African American women classified a...

  13. 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…

  14. 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

  15. 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.

  16. 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.

  17. Improved beam spot measurements in the 2nd generation proton beam writing system

    NASA Astrophysics Data System (ADS)

    Yao, Yong; van Mourik, Martin W.; Santhana Raman, P.; van Kan, Jeroen A.

    2013-07-01

    Nanosized ion beams (especially proton and helium) play a pivotal role in the field of ion beam lithography and ion beam analysis. Proton beam writing has shown lithographic details down to the 20 nm level, limited by the proton beam spot size. Introducing a smaller spot size will allow smaller lithographic features. Smaller probe sizes, will also drastically improve the spatial resolution for ion beam analysis techniques. Among many other requirements, having an ideal resolution standard, used for beam focusing and a reliable focusing method, is an important pre-requisite for sub-10 nm beam spot focusing. In this paper we present the fabrication processes of a free-standing resolution standard with reduced side-wall projection and high side-wall verticality. The resulting grid is orthogonal (90.0° ± 0.1), has smooth edges with better than 6 nm side-wall projection. The new resolution standard has been used in focusing a 2 MeV H2+ beam in the 2nd generation PBW system at Center for Ion Beam Applications, NUS. The beam size has been characterized using on- and off-axis scanning transmission ion microscopy (STIM) and ion induced secondary electron detection, carried out with a newly installed micro channel plate electron detector. The latter has been shown to be a realistic alternative to STIM measurements, as the drawback of PIN diode detector damage is alleviated. With these improvements we show reproducible beam focusing down to 14 nm.

  18. Severe weather phenomena: SQUALL LINES The case of July 2nd 2009

    NASA Astrophysics Data System (ADS)

    Paraschivescu, Mihnea; Tanase, Adrian

    2010-05-01

    The wind intensity plays an important role, among the dangerous meteorological phenomena, to produce negative effects on the economy and the social activities, particularly when the wind is about to turn into a storm. During the past years one can notice an increase of wind frequency and intensity due to climate changes and, consequently, as a result of the extreme meteorological phenomena not only on a planetary level but also on a regional one. Although dangerous meteorological phenomena cannot be avoided, since they are natural, nevertheless they can be anticipated and decision making institutions and mass media can be informed. This is the reason why, in this paper, we set out to identify the synoptic conditions that led to the occurrence of the severe storm case in Bucharest on July 2nd, 2009, as well as the matrices that generate such cases. At the same time we sought to identify some indications evidence especially from radar data so as to lead to the improvement of the time interval between the nowcasting warning and the actual occurrence of the phenomenon.

  19. Cosmological perturbations: Vorticity, isocurvature and magnetic fields

    NASA Astrophysics Data System (ADS)

    Christopherson, Adam J.

    2014-10-01

    In this paper, I review some recent, interlinked, work undertaken using cosmological perturbation theory — a powerful technique for modeling inhomogeneities in the universe. The common theme which underpins these pieces of work is the presence of nonadiabatic pressure, or entropy, perturbations. After a brief introduction covering the standard techniques of describing inhomogeneities in both Newtonian and relativistic cosmology, I discuss the generation of vorticity. As in classical fluid mechanics, vorticity is not present in linearized perturbation theory (unless included as an initial condition). Allowing for entropy perturbations, and working to second order in perturbation theory, I show that vorticity is generated, even in the absence of vector perturbations, by purely scalar perturbations, the source term being quadratic in the gradients of first order energy density and isocurvature, or nonadiabatic pressure perturbations. This generalizes Crocco's theorem to a cosmological setting. I then introduce isocurvature perturbations in different models, focusing on the entropy perturbation in standard, concordance cosmology, and in inflationary models involving two scalar fields. As the final topic, I investigate magnetic fields, which are a potential observational consequence of vorticity in the early universe. I briefly review some recent work on including magnetic fields in perturbation theory in a consistent way. I show, using solely analytical techniques, that magnetic fields can be generated by higher order perturbations, albeit too small to provide the entire primordial seed field, in agreement with some numerical studies. I close this paper with a summary and some potential extensions of this work.

  20. 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.

  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. 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

  3. 11 Years of Cloud Characteristics from SEVIRI: 2nd Edition of the CLAAS Dataset by CMSAF

    NASA Astrophysics Data System (ADS)

    Finkensieper, Stephan; Stengel, Martin; Fokke Meirink, Jan; van Zadelhoff, Gerd-Jan; Kniffka, Anke

    2016-04-01

    Spatiotemporal variability of clouds is an important aspect of the climate system. Therefore climate data records of cloud properties are valuable to many researchers in the climate community. The passive SEVIRI imager onboard the geostationary Meteosat Second Generation satellites is well suited for the needs of cloud retrievals as it provides measurements in 12 spectral channels every 15 minutes and thus allows for capturing both the spatial and the temporal variability of clouds. However, requirements on climate data records are high in terms of record length and homogeneity, so that intercalibration and homogenization among the available SEVIRI instruments becomes a crucial factor. We present the 2nd edition of the CLoud Property DAtAset using SEVIRI (CLAAS-2) generated within the EUMETSAT Satellite Application Facility on Climate Monitoring (CMSAF), that is temporally extended and qualitatively improved compared to the 1st edition. CLAAS-2 covers the time period 2004-2014 and features cloud mask, cloud top properties, cloud phase, cloud type, and microphysical cloud properties on the complete SEVIRI disc in 15-minute temporal resolution. Temporally and spatially averaged quantities, mean diurnal cycles and monthly histograms are included as well. CLAAS-2 was derived from a homogenized data basis, obtained by intercalibrating visible and infrared SEVIRI radiances (of Meteosat 8, 9 and 10) with MODIS, using state-of-the-art retrieval schemes. In addition to the dataset characteristics, we will present validation results using CALIPSO as reference observations. The CLAAS-2 dataset will allow for a large variety of applications of which some will be indicated in our presentation, with focus on determining diurnal to seasonal cycles, spatially resolved frequencies of cloud properties as well as showing the potential for using CLAAS-2 data for model process studies.

  4. 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

  5. Mechanosensitivity of the 2nd Kind: TGF-β Mechanism of Cell Sensing the Substrate Stiffness

    PubMed Central

    Cockerill, Max; Rigozzi, Michelle K.; Terentjev, Eugene M.

    2015-01-01

    Cells can sense forces applied to them, but also the stiffness of their environment. These are two different phenomena, and here we investigate the mechanosensitivity of the 2nd kind: how the cell can measure an elastic modulus at a single point of adhesion—and how the cell can receive and interpret the chemical signal released from the sensor. Our model uses the example of large latent complex of TGF-β as a sensor. Stochastic theory gives the rate of breaking of latent complex, which initiates the signaling feedback loop after the active TGF-β release and leads to a change of cell phenotype driven by the α-smooth muscle actin. We investigate the dynamic and steady-state behaviors of the model, comparing them with experiments. In particular, we analyse the timescale of approach to the steady state, the stability of the non-linear dynamical system, and how the steady-state concentrations of the key markers vary depending on the elasticity of the substrate. We discover a crossover region for values of substrate elasticity closely corresponding to that of the fibroblast to myofibroblast transition. We suggest that the cell could actively vary the parameters of its dynamic feedback loop to ‘choose’ the position of the transition region and the range of substrate elasticity that it can detect. In this way, the theory offers the unifying mechanism for a variety of phenomena, such as the myofibroblast conversion in fibrosis of wounds and lungs and smooth muscle cell dysfunction in cardiac disease. PMID:26448620

  6. 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.

  7. 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.

    PubMed

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

    2014-10-21

    We report reaction paths starting from N((2)D) + 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((2)Π) + H2, (2) cis-HNOH → HNO-H → H-HNO → NO + H2, (3) H2NO → H-HNO → HNO-H → trans-HNOH, are confirmed on the D0 surface. PMID:25338892

  8. 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

    2014-10-01

    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. PMID:25296795

  9. 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.

  10. Seven topics in perturbative QCD

    SciTech Connect

    Buras, A.J.

    1980-09-01

    The following topics of perturbative QCD are discussed: (1) deep inelastic scattering; (2) higher order corrections to e/sup +/e/sup -/ annihilation, to photon structure functions and to quarkonia decays; (3) higher order corrections to fragmentation functions and to various semi-inclusive processes; (4) higher twist contributions; (5) exclusive processes; (6) transverse momentum effects; (7) jet and photon physics.

  11. 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.

  12. 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. PMID:21660238

  13. Neurobehavioral Evaluation System (NES): comparative performance of 2nd-, 4th-, and 8th-grade Czech children.

    PubMed

    Otto, D A; Skalik, I; House, D E; Hudnell, H K

    1996-01-01

    The Neurobehavioral Evaluation System was designed for field studies of workers, but many NES tests can be performed satisfactorily by children as young as 7 or 8 years old and a few tests, such as simple reaction time, can be performed by preschool children. However, little comparative data from children of different ages or grade levels are available. Studies of school children in the Czech Republic indicate that 2nd-grade children could perform the following NES tests satisfactorily: Finger Tapping, Visual Digit Span. Continuous Performance, Symbol-Digit Substitution, Pattern Comparison, and simpler conditions of Switching Attention. Comparative scores of boys and girls from the 2nd, 4th, and 8th grades and power analyses to estimate appropriate sample size were presented. Performance varied systematically with grade level and gender. Larger samples were needed with younger children to achieve comparable levels of statistical power. Gender comparisons indicated that boys responded faster, but made more errors than girls. PMID:8866533

  14. Baryon chiral perturbation theory

    NASA Astrophysics Data System (ADS)

    Scherer, S.

    2012-03-01

    We provide a short introduction to the one-nucleon sector of chiral perturbation theory and address the issue of power counting and renormalization. We discuss the infrared regularization and the extended on-mass-shell scheme. Both allow for the inclusion of further degrees of freedom beyond pions and nucleons and the application to higher-loop calculations. As applications we consider the chiral expansion of the nucleon mass to order Script O(q6) and the inclusion of vector and axial-vector mesons in the calculation of nucleon form factors. Finally, we address the complex-mass scheme for describing unstable particles in effective field theory.

  15. 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…

  16. 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.

  17. 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. PMID:26972324

  18. 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

  19. 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

  20. 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.

  1. 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. PMID:18006375

  2. Canonical floquet perturbation theory

    NASA Astrophysics Data System (ADS)

    Pohlen, David J.

    1992-12-01

    Classical Floquet theory is examined in order to generate a canonical transformation to modal variables for periodic system. This transformation is considered canonical if the periodic matrix of eigenvectors is symplectic at the initial time. Approaches for symplectic normalization of the eigenvectors had to be examined for each of the different Poincare eigenvalue cases. Particular attention was required in the degenerate case, which depended on the solution of a generalized eigenvector. Transformation techniques to ensure real modal variables and real periodic eigenvectors were also needed. Periodic trajectories in the restricted three-body case were then evaluated using the canonical Floquet solution. The system used for analyses is the Sun-Jupiter system. This system was especially useful since it contained two of the more difficult Poincare eigenvalue cases, the degenerate case and the imaginary eigenvalue case. The perturbation solution to the canonical modal variables was examined using both an expansion of the Hamiltonian and using a representation that was considered exact. Both methods compared quite well for small perturbations to the initial condition. As expected, the expansion solution failed first due to truncation after the third order term of the expansion.

  3. 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.

  4. 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

  5. 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

  6. 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

  7. First- and second-order contrast sensitivity functions reveal disrupted visual processing following mild traumatic brain injury.

    PubMed

    Spiegel, Daniel P; Reynaud, Alexandre; Ruiz, Tatiana; Laguë-Beauvais, Maude; Hess, Robert; Farivar, Reza

    2016-05-01

    Vision is disrupted by traumatic brain injury (TBI), with vision-related complaints being amongst the most common in this population. Based on the neural responses of early visual cortical areas, injury to the visual cortex would be predicted to affect both 1(st) order and 2(nd) order contrast sensitivity functions (CSFs)-the height and/or the cut-off of the CSF are expected to be affected by TBI. Previous studies have reported disruptions only in 2(nd) order contrast sensitivity, but using a narrow range of parameters and divergent methodologies-no study has characterized the effect of TBI on the full CSF for both 1(st) and 2(nd) order stimuli. Such information is needed to properly understand the effect of TBI on contrast perception, which underlies all visual processing. Using a unified framework based on the quick contrast sensitivity function, we measured full CSFs for static and dynamic 1(st) and 2(nd) order stimuli. Our results provide a unique dataset showing alterations in sensitivity for both 1(st) and 2(nd) order visual stimuli. In particular, we show that TBI patients have increased sensitivity for 1(st) order motion stimuli and decreased sensitivity to orientation-defined and contrast-defined 2(nd) order stimuli. In addition, our data suggest that TBI patients' sensitivity for both 1(st) order stimuli and 2(nd) order contrast-defined stimuli is shifted towards higher spatial frequencies. PMID:27036098

  8. 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…

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. [Combined Anterior and Posterior Surgical Approaches for Resection of a 2nd-rib Chondrosarcoma Occupying the Superior Sulcus].

    PubMed

    Shinohara, Yoshikazu; Anraku, Masaki; Saito, Noriyuki; Fukumoto, Kento; Kobayashi, Hiroshi; Shinoda, Yusuke; Chikuda, Hirotaka; Nakajima, Jun

    2016-06-01

    A 77-year-old man with right chest wall chondrosarcoma invading vertebral bodies underwent resection. Computed tomography (CT) showed that the tumor occupied the right superior sulcus, and was close to mediastinal organs including the trachea and esophagus. We adopted a combined anterior and posterior approaches that made safe and curative resection possible. In the anterior approach, we dissected and mobilized the neurovascular structures and neighboring organs from the tumor. A-4 cm gutter on the ventral side of the 1st, 2nd, and 3rd thoracic vertebral bodies was created for safe resection. By the subsequent posterior approach, successful resection was achieved without violating tumor margins. PMID:27246126

  14. 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

  15. Quantitative metabolic profiles of 2nd and 3rd trimester human amniotic fluid using 1H HR-MAS spectroscopy

    PubMed Central

    Cohn, Brad R.; Zhao, Shoujun; Kornak, John; Zhang, Vickie Y.; Iman, Rahwa; Kurhanewicz, John; Vahidi, Kiarash; Yu, Jingwei; Caughey, Aaron B.; Swanson, Mark G.

    2016-01-01

    Object To establish and compare normative metabolite concentrations in 2nd and 3rd trimester human amniotic fluid samples in an effort to reveal metabolic biomarkers of fetal health and development. Materials and methods Twenty-one metabolite concentrations were compared between 2nd (15–27 weeks gestation, N = 23) and 3rd (29–39 weeks gestation, N = 27) trimester amniotic fluid samples using 1H high resolution magic angle spinning (HR-MAS) spectroscopy. Data were acquired using the electronic reference to access in vivo concentrations method and quantified using a modified semi-parametric quantum estimation algorithm modified for high-resolution ex vivo data. Results Sixteen of 21 metabolite concentrations differed significantly between 2nd and 3rd trimester groups. Betaine (0.00846±0.00206 mmol/kg vs. 0.0133±0.0058 mmol/kg, P <0.002) and creatinine (0.0124±0.0058 mmol/kg vs. 0.247±0.011 mmol/kg, P <0.001) concentrations increased significantly, while glucose (5.96±1.66 mmol/kg vs. 2.41±1.69 mmol/kg, P <0.001), citrate (0.740±0.217 mmol/kg vs. 0.399±0.137 mmol/kg, P <0.001), pyruvate (0.0659±0.0103 mmol/kg vs. 0.0299±0.286 mmol/kg, P <0.001), and numerous amino acid (e.g. alanine, glutamate, isoleucine, leucine, lysine, and valine) concentrations decreased significantly with advancing gestation. A stepwise multiple linear regression model applied to 50 samples showed that gestational age can be accurately predicted using combinations of alanine, glucose and creatinine concentrations. Conclusion These results provide key normative data for 2nd and 3rd trimester amniotic fluid metabolite concentrations and provide the foundation for future development of magnetic resonance spectroscopy (MRS) biomarkers to evaluate fetal health and development. PMID:19779747

  16. Gauge-invariant cosmological perturbation theory with seeds

    SciTech Connect

    Durrer, R. )

    1990-10-15

    Gauge-invariant cosmological perturbation theory is extended to handle perturbations induced by seeds. A calculation of the Sachs-Wolfe effect is presented. A second-order differential equation for the growth of density perturbations is derived and the perturbation of Liouville's equation for collisionless particles is also given. The results are illustrated by a simple analytic example of a single texture knot, where we calculate the induced perturbations of the energy of microwave photons, of baryonic matter, and of collisionless particles.

  17. 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

  18. Evolution of non-spherical perturbations.

    NASA Astrophysics Data System (ADS)

    Boschan, P.

    1995-06-01

    In this paper I investigate the evolution of primordial non-spherical positive and negative fluctuations. They can be calculated by second order of perturbation theory. I solved analytically the second order equation for arbitrary density parameter {OMEGA}_M0_ and cosmological constant {LAMBDA} using the approximation introduced by Martell & Freundling (???). The second order solution is compared with the exact one in the spherical case. I find that the initial deformation grows rapidly for positive perturbations, while the negative perturbations (voids) are stable against deformations.

  19. Singular perturbation applications in neutron transport

    SciTech Connect

    Losey, D.C.; Lee, J.C.

    1996-09-01

    This is a paper on singular perturbation applications in neutron transport for submission at the next ANS conference. A singular perturbation technique was developed for neutron transport analysis by postulating expansion in terms of a small ordering parameter {eta}. Our perturbation analysis is carried, without approximation, through {Omicron}({eta}{sup 2}) to derive a material interface correction for diffusion theory. Here we present results from an analytical application of the perturbation technique to a fixed source problem and then describe and implementation of the technique in a computational scheme.

  20. Emission lineshapes of the B850 band of light-harvesting 2 (LH2) complex in purple bacteria: A second order time-nonlocal quantum master equation approach

    NASA Astrophysics Data System (ADS)

    Kumar, Praveen; Jang, Seogjoo

    2013-04-01

    The emission lineshape of the B850 band in the light harvesting complex 2 of purple bacteria is calculated by extending the approach of 2nd order time-nonlocal quantum master equation [S. Jang and R. J. Silbey, J. Chem. Phys. 118, 9312 (2003), 10.1063/1.1569239]. The initial condition for the emission process corresponds to the stationary excited state density where exciton states are entangled with the bath modes in equilibrium. This exciton-bath coupling, which is not diagonal in either site excitation or exciton basis, results in a new inhomogeneous term that is absent in the expression for the absorption lineshape. Careful treatment of all the 2nd order terms are made, and explicit expressions are derived for both full 2nd order lineshape expression and the one based on secular approximation that neglects off-diagonal components in the exciton basis. Numerical results are presented for a few representative cases of disorder and temperature. Comparison of emission line shape with the absorption line shape is also made. It is shown that the inhomogeneous term coming from the entanglement of the system and bath degrees of freedom makes significant contributions to the lineshape. It is also found that the perturbative nature of the theory can result in negative portion of lineshape in some situations, which can be removed significantly by inclusion of the inhomogeneous term and completely by using the secular approximation. Comparison of the emission and absorption lineshapes at different temperatures demonstrates the role of thermal population of different exciton states and exciton-phonon couplings.

  1. Time resolved 2nd harmonic generation at LaAlO3/SrTiO3 Interfaces

    NASA Astrophysics Data System (ADS)

    Adhikari, Sanjay; Eom, Chang-Beom; Ryu, Sangwoo; Cen, Cheng

    2014-03-01

    Ultrafast spectroscopy can produce information of carrier/lattice dynamics, which is especially valuable for understanding phase transitions at LaAlO3/SrTiO3 interfaces. LaAlO3 (LAO) and SrTiO3 (STO) are both associated with wide band gap, which allows deep penetration of commonly used laser wavelengths and therefore usually leads to overwhelming bulk signal background. Here we report a time resolved study of a 2nd harmonic generation (SHG) signal resulting from impulsive below-the-band-gap optical pumping. The nonlinear nature of the signal enables us to probe the interface directly. Output of a home built Ti:Sapphire laser and BBO crystal were used to generate 30fs pulses of two colors (405nm and 810nm). The 405nm pulse was used to pump the LAO/STO interfaces, while 2nd harmonics of the 810nm pulse generated at the interfaces was probed as a function of the time delay. Signals from samples with varying LAO thicknesses clearly correlates to the metal-insulator transition. Distinct time dependent signals were observed at LAO/STO interfaces grown on different substrates. Experiments performed at different optical polarization geometries, interface electric fields and temperatures allow us to paint a clearer picture of the novel oxide heterostructures under investigation.

  2. 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

  3. 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.

  4. BMI differences in 1st and 2nd generation immigrants of Asian and European origin to Australia.

    PubMed

    Hauck, Katharina; Hollingsworth, Bruce; Morgan, Lawrie

    2011-01-01

    We estimate assimilation of immigrants' body mass index (BMI) to the host population of Australia over one generation, conducting separate analyses for immigrants from 7 regions of Europe and Asia. We use quantile regressions to allow for differing impact of generational status across 19 quantiles of BMI from under-weight to morbidly obese individuals. We find that 1st generation South European immigrants have higher, and South and East Asian immigrants have lower BMI than Australians, but have assimilated to the BMI of their hosts in the 2nd generation. There are no or only small BMI differences between Australians and 1st and 2nd generation immigrants from East Europe, North-West Europe, Middle East and Pacific regions. We conclude that both upward and downward assimilation in some immigrant groups is most likely caused by factors which can change over one generation (such as acculturation), and not factors which would take longer to change (such as genetics). Our results suggest that public health policies targeting the lifestyles of well educated Asian immigrants may be effective in preventing BMI increase in this subgroup. PMID:20869292

  5. Cosmological perturbations in f(T) gravity

    SciTech Connect

    Chen, Shih-Hung; Dent, James B.; Dutta, Sourish; Saridakis, Emmanuel N.

    2011-01-15

    We investigate the cosmological perturbations in f(T) gravity. Examining the pure gravitational perturbations in the scalar sector using a diagonal vierbein, we extract the corresponding dispersion relation, which provides a constraint on the f(T) Ansaetze that lead to a theory free of instabilities. Additionally, upon inclusion of the matter perturbations, we derive the fully perturbed equations of motion, and we study the growth of matter overdensities. We show that f(T) gravity with f(T) constant coincides with General Relativity, both at the background as well as at the first-order perturbation level. Applying our formalism to the power-law model we find that on large subhorizon scales (O(100 Mpc) or larger), the evolution of matter overdensity will differ from {Lambda}CDM cosmology. Finally, examining the linear perturbations of the vector and tensor sectors, we find that (for the standard choice of vierbein) f(T) gravity is free of massive gravitons.

  6. 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.

  7. Degenerate Open Shell Density Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Palenik, Mark; Dunlap, Brett

    The density perturbation theory (DPT) methodology we have developed applies the Hohenberg-Kohn theorem to perturbations in density functional theory. At each order, the energy is directly minimized with respect to the density at all lower orders. The difference between the perturbed and unperturbed densities is expanded in terms of a finite number of basis functions, and a single matrix inversion in this space reduces the complexity of the problem to that of non-interacting perturbation theory. For open-shell systems with symmetry, however, the situation becomes more complex. Typically, the perturbation will break the symmetry leading to a zeroth-order shift in the Kohn-Sham potential. Because the symmetry breaking is independent of the strength of the perturbation, the mapping from the initial to the perturbed KS potential is discontinuous and techniques from perturbation theory for noninteracting particles fail. We describe a rigorous formulation of DPT for use in systems that display an initial degeneracy, such as atoms and Fe55Cp*12 clusters and present initial calculations on these systems.

  8. 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.

  9. 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.

  10. 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.

  11. Proceedings of the Southeastern Writing Center Conference (2nd, University of Alabama, February 6, 1982).

    ERIC Educational Resources Information Center

    Olson, Gary A., Comp.

    Included in these proceedings are 11 essays by 12 specialists in the field of writing center administration. The first essay is the keynote address; the other essays are printed in the order in which they were presented at the conference. The papers discuss the following: (1) the writing center: a vision revisited; (2) from thought to word:…

  12. 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…

  13. 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.

  14. Perturbative charged rotating 5D Einstein-Maxwell black holes

    NASA Astrophysics Data System (ADS)

    Navarro-Lérida, Francisco

    2010-12-01

    We present perturbative charged rotating 5D Einstein-Maxwell black holes with spherical horizon topology. The electric charge Q is the perturbative parameter, the perturbations being performed up to 4th order. The expressions for the relevant physical properties of these black holes are given. The gyromagnetic ratio g, in particular, is explicitly shown to be non-constant in higher order, and thus to deviate from its lowest order value, g = 3. Comparison of the perturbative analytical solutions with their non-perturbative numerical counterparts shows remarkable agreement.

  15. A new method for sudden mechanical perturbation with axial load, to assess postural control in sitting and standing.

    PubMed

    Claus, Andrew P; Verrel, Julius; Pounds, Paul E I; Shaw, Renee C; Brady, Niamh; Chew, Min T; Dekkers, Thomas A; Hodges, Paul W

    2016-05-01

    Sudden application of load along a sagittal or coronal axis has been used to study trunk stiffness, but not axial (vertical) load. This study introduces a new method for sudden-release axial load perturbation. Prima facie validity was supported by comparison with standard mechanical systems. We report the response of the human body to axial perturbation in sitting and standing and within-day repeatability of measures. Load of 20% of body weight was released from light contact onto the shoulders of 22 healthy participants (10 males). Force input was measured via force transducers at shoulders, output via a force plate below the participant, and kinematics via 3-D motion capture. System identification was used to fit data from the time of load release to time of peak load-displacement, fitting with a 2nd-order mass-spring-damper system with a delay term. At peak load-displacement, the mean (SD) effective stiffness measured with this device for participants in sitting was 12.0(3.4)N/mm, and in standing was 13.3(4.2)N/mm. Peak force output exceeded input by 44.8 (10.0)% in sitting and by 30.4(7.9)% in standing. Intra-class correlation coefficients for within-day repeatability of axial stiffness were 0.58 (CI: -0.03 to 0.83) in sitting and 0.82(0.57-0.93) in standing. Despite greater degrees of freedom in standing than sitting, standing involved lesser time, downward displacement, peak output force and was more repeatable in defending upright postural control against the same axial loads. This method provides a foundation for future studies of neuromuscular control with axial perturbation. PMID:26968087

  16. Morgenröthe or business as usual: a personal account of the 2nd Annual EULAR Congress, Prague

    PubMed Central

    Wollheim, Frank A

    2001-01-01

    The 2nd Annual European League Against Rheumatism (EULAR) Congress, held in Prague, 13–16 June 2001, was an impressive event with a record turnout of 8300 delegates. It offered a large variety of first-class state of the art lectures by some 180 invited worldwide speakers. Several new and ongoing therapeutic developments were discussed. The aim to attract the young scientific community was only partly achieved, and the dependence on industry posed some problems. The organization, however, was a big improvement compared with the previous congress in this series. The number of submitted abstracts was relatively low (1200) compared with the number of delegates. Accommodation of satellite symposia and organization of poster sessions remain problem areas of this meeting. The Annual EULAR Congress emerges as one of the two most important annual congresses of rheumatology, the other being the American College of Rheumatology meeting.

  17. 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.

  18. CRACking ion channel targets: 2nd annual Ion Channel Targets Conference. 12-13 September 2006, Boston, MA, USA.

    PubMed

    Mathes, Chris

    2007-01-01

    The 2nd Annual Ion Channel Targets (ICT) Conference (by Select Bioscience LLC) was held in Boston on 12-13 September 2006. A healthy mixture of scientists from pharma, biotech and academic sectors attended the meeting. The speaker list reflected this mixture. In general, the conference focused on new ion channel targets and the methods for studying them in detail. Keynote lectures from Professors David Clapham (Harvard Medical School, USA) and Reinhold Penner (University of Hawaii, USA) set the tone by highlighting recent findings with a voltage-gated proton channel (Clapham), cation channel in sperm (Clapham) and the calcium-release-activated calcium channel (Penner). Also described at ICT were voltage-gated sodium, potassium, transmembrane-receptor-potential channels, as well as ligand-gated nicotinic acetylcholine (nAChR) and GABA type A receptors. PMID:17150038

  19. The influence of neighborhood density and word frequency on phoneme awareness in 2nd and 4th grades

    PubMed Central

    Hogan, Tiffany P.; Bowles, Ryan P.; Catts, Hugh W.; Storkel, Holly L.

    2010-01-01

    Purpose The purpose of this study was to test the hypothesis that two lexical characteristics – neighborhood density and word frequency – interact to influence performance on phoneme awareness tasks. Methods Phoneme awareness was examined in a large, longitudinal dataset of 2nd and 4th grade children. Using linear logistic test model, the relation between words' neighborhood density, word frequency, and phoneme awareness performance was examined across grades while covarying type and place of deletion. Results A predicted interaction was revealed: words from dense neighborhoods or those with high frequency were more likely to yield correct phoneme awareness responses across grades. Conclusions Findings support an expansion to the lexical restructuring model to include interactions between neighborhood density and word frequency to account for phoneme awareness. PMID:20691979

  20. 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. PMID:26298195

  1. 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

  2. Impact of Insulin Resistance on Neointimal Tissue Proliferation after 2nd-Generation Drug-Eluting Stent Implantation

    PubMed Central

    Yaguchi, Isao; Komatsu, Sachiko; Nakahara, Shiro; Kobayashi, Sayuki; Sakai, Yoshihiko; Taguchi, Isao

    2015-01-01

    Percutaneous coronary intervention is established as an effective treatment for patients with ischemic heart disease; in particular, drug-eluting stent implantation is known to suppress in-stent restenosis. Diabetes mellitus is an independent risk factor for restenosis, so reducing insulin resistance is being studied as a new treatment approach. In this prospective study, we sought to clarify the factors associated with in-stent restenosis after percutaneous coronary intervention, and we evaluated the homeostasis model assessment of insulin resistance (HOMA-IR) index as a predictor of restenosis. We enrolled 136 consecutive patients who underwent elective percutaneous coronary intervention at our hospital from February 2010 through April 2013. All were implanted with a 2nd-generation drug-eluting stent. We distributed the patients in accordance with their HOMA-IR index values into insulin-resistant Group P (HOMA-IR, ≥2.5; n=77) and noninsulin-resistant Group N (HOMA-IR, <2.5; n=59). Before and immediately after stenting, we measured reference diameter, minimal lumen diameter, and percentage of stenosis, and after 8 months we measured the last 2 factors and late lumen loss, all by means of quantitative coronary angiography. After 8 months, the mean minimal lumen diameter was smaller in Group P than that in Group N (1.85 ± 1.02 vs 2.37 ± 0.66 mm; P=0.037), and the mean late lumen loss was larger (0.4 ± 0.48 vs 0.16 ± 0.21 mm; P=0.025). These results suggest that insulin resistance affects neointimal tissue proliferation after 2nd-generation drug-eluting stent implantation. PMID:26413014

  3. 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.

  4. 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.

  5. Generalized perturbations in neutrino mixing

    NASA Astrophysics Data System (ADS)

    Liao, Jiajun; Marfatia, D.; Whisnant, K.

    2015-10-01

    We derive expressions for the neutrino mixing parameters that result from complex perturbations on (1) the Majorana neutrino mass matrix (in the basis of charged lepton mass eigenstates) and on (2) the charged lepton mass matrix, for arbitrary initial (unperturbed) mixing matrices. In the first case, we find that the phases of the elements of the perturbation matrix, and the initial values of the Dirac and Majorana phases, strongly impact the leading-order corrections to the neutrino mixing parameters and phases. For experimentally compatible scenarios wherein the initial neutrino mass matrix has μ -τ symmetry, we find that the Dirac phase can take any value under small perturbations. Similarly, in the second case, perturbations to the charged lepton mass matrix can generate large corrections to the mixing angles and phases of the Pontecorvo-Maki-Nakagawa-Sakata (PMNS) matrix. As an illustration of our generalized procedure, we apply it to a situation in which nonstandard scalar and nonstandard vector interactions simultaneously affect neutrino oscillations.

  6. 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.

  7. 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.

  8. 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. PMID:25273413

  9. Covariant Perturbation Expansion of Off-Diagonal Heat Kernel

    NASA Astrophysics Data System (ADS)

    Gou, Yu-Zi; Li, Wen-Du; Zhang, Ping; Dai, Wu-Sheng

    2016-07-01

    Covariant perturbation expansion is an important method in quantum field theory. In this paper an expansion up to arbitrary order for off-diagonal heat kernels in flat space based on the covariant perturbation expansion is given. In literature, only diagonal heat kernels are calculated based on the covariant perturbation expansion.

  10. Compact first and second order polarization mode dispersion emulator

    NASA Astrophysics Data System (ADS)

    Zhang, Yang; Li, Shiguang; Yang, Changxi

    2005-08-01

    We propose a 1st and 2nd order polarization mode dispersion emulator (PMDE) with one variable differential group delay (DGD) element using birefringence crystals and four polarization controllers (PCs). Monte Carlo simulations demonstrate that the output 1st and 2nd order polarization mode dispersion (PMD) generated by the PMDE consists with statistic theory. Compared with former PMDEs, this design is tunable, lower-cost, and more integrated for fabrication, which shows response time of 150 ?s, response frequency of 3.8 kHz, working wavelength of 1550 nm, total power consumption of less than 3 W, working range of 0---84 ps and 0---3600 ps2 for 1st and 2nd order PMD emulation, respectively. Also, it is programmable and can be controlled by either singlechip or computer. It can be applied to study the outage probability of optical communication systems due to PMD effect and the effectiveness of PMD compensation.

  11. Statistical Analysis of CFD Solutions from 2nd Drag Prediction Workshop

    NASA Technical Reports Server (NTRS)

    Hemsch, M. J.; Morrison, J. H.

    2004-01-01

    In June 2001, the first AIAA Drag Prediction Workshop was held to evaluate results obtained from extensive N-Version testing of a series of RANS CFD codes. The geometry used for the computations was the DLR-F4 wing-body combination which resembles a medium-range subsonic transport. The cases reported include the design cruise point, drag polars at eight Mach numbers, and drag rise at three values of lift. Although comparisons of the code-to-code medians with available experimental data were similar to those obtained in previous studies, the code-to-code scatter was more than an order-of-magnitude larger than expected and far larger than desired for design and for experimental validation. The second Drag Prediction Workshop was held in June 2003 with emphasis on the determination of installed pylon-nacelle drag increments and on grid refinement studies. The geometry used was the DLR-F6 wing-body-pylon-nacelle combination for which the design cruise point and the cases run were similar to the first workshop except for additional runs on coarse and fine grids to complement the runs on medium grids. The code-to-code scatter was significantly reduced for the wing-body configuration compared to the first workshop, although still much larger than desired. However, the grid refinement studies showed no sign$cant improvement in code-to-code scatter with increasing grid refinement.

  12. Sudakov safety in perturbative QCD

    NASA Astrophysics Data System (ADS)

    Larkoski, Andrew J.; Marzani, Simone; Thaler, Jesse

    2015-06-01

    Traditional calculations in perturbative quantum chromodynamics (pQCD) are based on an order-by-order expansion in the strong coupling αs. Observables that are calculable in this way are known as "safe." Recently, a class of unsafe observables was discovered that do not have a valid αs expansion but are nevertheless calculable in pQCD using all-orders resummation. These observables are called "Sudakov safe" since singularities at each αs order are regulated by an all-orders Sudakov form factor. In this paper, we give a concrete definition of Sudakov safety based on conditional probability distributions, and we study a one-parameter family of momentum sharing observables that interpolate between the safe and unsafe regimes. The boundary between these regimes is particularly interesting, as the resulting distribution can be understood as the ultraviolet fixed point of a generalized fragmentation function, yielding a leading behavior that is independent of αs.

  13. Improved WKB analysis of cosmological perturbations

    SciTech Connect

    Casadio, Roberto; Luzzi, Mattia; Venturi, Giovanni; Finelli, Fabio

    2005-02-15

    Improved Wentzel-Kramers-Brillouin (WKB)-type approximations are presented in order to study cosmological perturbations beyond the lowest order. Our methods are based on functions which approximate the true perturbation modes over the complete range of the independent (Langer) variable, from subhorizon to superhorizon scales, and include the region near the turning point. We employ both a perturbative Green's function technique and an adiabatic (or semiclassical) expansion (for a linear turning point) in order to compute higher order corrections. Improved general expressions for the WKB scalar and tensor power spectra are derived for both techniques. We test our methods on the benchmark of power-law inflation, which allows comparison with exact expressions for the perturbations, and find that the next-to-leading order adiabatic expansion yields the amplitude of the power spectra with excellent accuracy, whereas the next-to-leading order with the perturbative Green's function method does not improve the leading order result significantly. However, in more general cases, either or both methods may be useful.

  14. 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

  15. 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

  16. 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.

  17. R evolution: Improving perturbative QCD

    NASA Astrophysics Data System (ADS)

    Hoang, André H.; Jain, Ambar; Scimemi, Ignazio; Stewart, Iain W.

    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 μ of MS¯. R variations can be used to independently estimate (i.) the size of power corrections, and (ii.) higher-order perturbative corrections (much like μ 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˜1GeV, and power corrections are reduced compared to MS¯.

  18. Cosmological perturbations in mimetic Horndeski gravity

    NASA Astrophysics Data System (ADS)

    Arroja, Frederico; Bartolo, Nicola; Karmakar, Purnendu; Matarrese, Sabino

    2016-04-01

    We study linear scalar perturbations around a flat FLRW background in mimetic Horndeski gravity. In the absence of matter, we show that the Newtonian potential satisfies a second-order differential equation with no spatial derivatives. This implies that the sound speed for scalar perturbations is exactly zero on this background. We also show that in mimetic G3 theories the sound speed is equally zero. We obtain the equation of motion for the comoving curvature perturbation (first order differential equation) and solve it to find that the comoving curvature perturbation is constant on all scales in mimetic Horndeski gravity. We find solutions for the Newtonian potential evolution equation in two simple models. Finally we show that the sound speed is zero on all backgrounds and therefore the system does not have any wave-like scalar degrees of freedom.

  19. 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.

  20. 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

  1. Workshop report on the 2nd Joint ENCCA/EuroSARC European bone sarcoma network meeting: integration of clinical trials with tumour biology

    PubMed Central

    2014-01-01

    This is the report of the 2nd Joint ENCCA/EuroSARC European Bone Sarcoma Network Meeting held in Leiden, The Netherlands, on 26-27 September 2013, bringing together preclinical and clinical investigators on bone sarcoma. The purpose of this workshop was to present the achievements of biological research and clinical trials in bone sarcomas and to stimulate crosstalk.

  2. 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…

  3. 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.

  4. Growth, structure, and optical properties of a self-activated crystal: Na2Nd2O(BO3)2

    NASA Astrophysics Data System (ADS)

    Shan, Faxian; Zhang, Guochun; Yao, Jiyong; Xu, Tianxiang; Zhang, Xinyuan; Fu, Ying; Wu, Yicheng

    2015-08-01

    A self-activated crystal Na2Nd2O(BO3)2 has been grown from the Na2O-Nd2O3-B2O3-NaF system. Its structure was determined by single crystal X-ray diffraction, and verified by infrared spectrum and inductively coupled plasma optical emission spectrometry. Na2Nd2O(BO3)2 crystallizes in the monoclinic crystal system, space group P21/c with unit-cell parameters a = 10.804 Å, b = 6.421 Å, c = 10.450 Å, β = 117.95°, Z = 4, and V = 640.4 Å3. Its absorption and emission spectra were measured at room temperature. Based on the absorption spectrum, the spontaneous transition probabilities, fluorescence branch ratio, and the radiation lifetime of 4F3/2 state were calculated. The emission properties under the 355 nm excitation were also evaluated. The electronic structure of Na2Nd2O(BO3)2 was calculated by the first-principles method. The obtained results show that Na2Nd2O(BO3)2 may be a promising microchip laser material.

  5. Non-hard sphere thermodynamic perturbation theory

    NASA Astrophysics Data System (ADS)

    Zhou, Shiqi

    2011-08-01

    A non-hard sphere (HS) perturbation scheme, recently advanced by the present author, is elaborated for several technical matters, which are key mathematical details for implementation of the non-HS perturbation scheme in a coupling parameter expansion (CPE) thermodynamic perturbation framework. NVT-Monte Carlo simulation is carried out for a generalized Lennard-Jones (LJ) 2n-n potential to obtain routine thermodynamic quantities such as excess internal energy, pressure, excess chemical potential, excess Helmholtz free energy, and excess constant volume heat capacity. Then, these new simulation data, and available simulation data in literatures about a hard core attractive Yukawa fluid and a Sutherland fluid, are used to test the non-HS CPE 3rd-order thermodynamic perturbation theory (TPT) and give a comparison between the non-HS CPE 3rd-order TPT and other theoretical approaches. It is indicated that the non-HS CPE 3rd-order TPT is superior to other traditional TPT such as van der Waals/HS (vdW/HS), perturbation theory 2 (PT2)/HS, and vdW/Yukawa (vdW/Y) theory or analytical equation of state such as mean spherical approximation (MSA)-equation of state and is at least comparable to several currently the most accurate Ornstein-Zernike integral equation theories. It is discovered that three technical issues, i.e., opening up new bridge function approximation for the reference potential, choosing proper reference potential, and/or using proper thermodynamic route for calculation of fex - ref, chiefly decide the quality of the non-HS CPE TPT. Considering that the non-HS perturbation scheme applies for a wide variety of model fluids, and its implementation in the CPE thermodynamic perturbation framework is amenable to high-order truncation, the non-HS CPE 3rd-order or higher order TPT will be more promising once the above-mentioned three technological advances are established.

  6. Summary of the 2nd International Symposium on Arthrogryposis, St. Petersburg, Russia, September 17-19, 2014.

    PubMed

    Hall, Judith G; Agranovich, Olga; Ogranovich, Alga; Pontén, Eva; Pontén, Ava; van Bosse, Harold J P

    2015-06-01

    Enormous progress has been made in understanding the etiology and therapies for arthrogryposis (multiple congenital contractures). A 2nd International Symposium on Arthrogryposis was sponsored by the Turner Institute in St. Petersburg, Russia. Olga Agranovich, Head of the Arthrogryposis Department of the Turner Institute, organized this special meeting. Care providers from multiple disciplines from all over the world representing 18 nations attended. Participants included: Pediatric orthopedic specialists, rehabilitation physicians, occupational therapists, physical therapists, medical geneticists, neurologists, craniofacial physicians, psychologists, developmental biologists, as well as representatives from parent support groups. The 1st symposium established the need for a collaborative and interdisciplinary approach to the treatment of arthrogryposis, engagement of parent support organizations, and the aim for more research. The Second Symposium highlighted the continuing need for more research on various therapies, identification of different types of arthrogryposis, standardized descriptions of severity, development of new orthotics, improved prenatal diagnosis, and studying adult outcome. Major progress has been made on both upper and lower limb treatments. PMID:25847824

  7. Long-term monitoring of the human intestinal microbiota from the 2nd week to 13 years of age.

    PubMed

    Endo, Akihito; Pӓrtty, Anna; Kalliomӓki, Marko; Isolauri, Erika; Salminen, Seppo

    2014-08-01

    Microbial contact begins prior to birth and continues rapidly thereafter. Few long term follow-up studies have been reported and we therefore characterized the development of intestinal microbiota of ten subjects from the 2nd week of life to 13 years of age. PCR-denaturing gradient gel electrophoresis combined with several bacterial group-specific primer sets demonstrated the colonization steps of defined bacterial groups in the microbiota. Bifidobacterium species were seen throughout the test period in all subjects. Bacteroides fragilis group and Blautia coccoides-Eubacterium rectale group species were not detected in several subjects during the first 6 months of life but were commonly seen after 12 months of life. Streptococcus group appeared during early life but was not seen in several subjects at the age of 13 years. Although a few species were linked with the increasing age, major bacterial species in the groups did not change dramatically. Rather considerable changes were found in the relative abundances of each bacterial species. Clustering analysis of total bacterial flora indicated that the microbiota changed considerably between 6 months and 12 months of life, and, at the age of 12 months, the intestinal microbiota was already converted toward a profile characteristic of an adult microbiota. Probiotic supplementation in the beginning of life did not have major impacts on later microbiota development. PMID:24933584

  8. Study on microstructure and properties of extruded Mg-2Nd-0.2Zn alloy as potential biodegradable implant material.

    PubMed

    Li, Junlei; Tan, Lili; Wan, Peng; Yu, Xiaoming; Yang, Ke

    2015-04-01

    Mg-2Nd-0.2Zn (NZ20) alloy was prepared for the application as biodegradable implant material in this study. The effects of the extrusion process on microstructure, mechanical and corrosion properties of the alloy were investigated. The as-cast alloy was composed of α-Mg matrix and Mg12Nd eutectic compound. The solution treatment could lead to the Mg12Nd phase dissolution and the grain coarsening. The alloy (E1) preheated at 380°C for 1h and extruded at 390°C presents fine grains with amounts of tiny Mg12Nd particles uniformly dispersed throughout the boundaries and the interior of the grains. The alloy (E2) preheated at 480°C for 1h and extruded at 500°C exhibits relatively larger grains with few nano-scale Mg12Nd phase particles dispersed. The alloy of E1, compared with E2, showed relatively lower corrosion rate, higher yield strength and slightly lower elongation. PMID:25686968

  9. [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. PMID:26455002

  10. Enhanced Deficits in Long-Term Potentiation in the Adult Dentate Gyrus with 2nd Trimester Ethanol Consumption

    PubMed Central

    Helfer, Jennifer L.; White, Emily R.; Christie, Brian R.

    2012-01-01

    Ethanol exposure during pregnancy can cause structural and functional changes in the brain that can impair cognitive capacity. The hippocampal formation, an area of the brain strongly linked with learning and memory, is particularly vulnerable to the teratogenic effects of ethanol. In the present experiments we sought to determine if the functional effects of developmental ethanol exposure could be linked to ethanol exposure during any single trimester-equivalent. Ethanol exposure during the 1st or 3rd trimester-equivalent produced only minor changes in synaptic plasticity in adult offspring. In contrast, ethanol exposure during the 2nd trimester equivalent resulted in a pronounced decrease in long-term potentiation, indicating that the timing of exposure influences the severity of the deficit. Together, the results from these experiments demonstrate long-lasting alterations in synaptic plasticity as the result of developmental ethanol exposure and dependent on the timing of exposure. Furthermore, these results allude to neural circuit malfunction within the hippocampal formation, perhaps relating to the learning and memory deficits observed in individuals with fetal alcohol spectrum disorders. PMID:23227262

  11. A neutron powder diffraction study of ND 3 intercalated titanium disulfide, 3 R-TiS 2ND 3

    NASA Astrophysics Data System (ADS)

    Bouwmeester, H. J. M.; Wiegers, G. A.

    1988-10-01

    Neutron powder diffraction of rhombohedral 3 R-TiS 2ND 3 ( a = 3.419 Å, c = 27.03 Å at 300 K, space group R overline3m ) has shown that ND 3 molecules and ND +4 ions, present in a ratio of about 5 to 1 from chemical and physical evidence, occupy statistically the trigonal-prismatic holes between TiS 2 sandwiches. One cannot distinguish between ND 3 and ND +4. Powder intensities calculated for a model with spherically symmetric ND 3 molecules (corresponding to isotropically rotating ND 3 and ND +4) in the trigonal-prismatic holes were in reasonable agreement with the observed intensities. Attempts to obtain information on the precise orientation of ND 3 and ND +4 in the TiS 2 lattice using refinements with structure factors were not successful; the reliability R factor was 0.093 for spherical symmetric ND 3 molecules with nitrogen in the center of the trigonal-prismatic holes.

  12. Near infrared emission and energy transfer in Eu2+ - Nd3+ co-doped Ca2BO3Cl

    NASA Astrophysics Data System (ADS)

    Talewar, R. A.; Joshi, C. P.; Moharil, S. V.

    2016-05-01

    Novel near infrared (NIR) emitting phosphor, Ca2BO3Cl:Eu2+, Nd3+ was synthesized by conventional solid-state reaction and characterized with X-ray diffraction, photoluminescence emission, photoluminescence excitation spectra and fluorescence decay measurements. When excited with 400 nm, the phosphor gives broadband emission at 560 nm, which corresponds to the allowed 5d → 4f transition of Eu2+ and an intense NIR emissions in the range 800-1400 nm, which are assigned to the characteristic 4I9/2,11/2,13/2 transitions of Nd3+ ions. The dependence of visible and NIR emissions, decay lifetime and the energy transfer efficiency (ηETE) were investigated in detail. The luminescence spectra, both in visible (VIS) and NIR regions, and decay lifetime curves of Eu2+ have been measured to prove energy transfer (ET) from Eu2+ to Nd3+. These results demonstrate the possibility for enhancing the photovoltaic conversion efficiency of silicon solar cell by modifying the absorption and utilizing the UV to blue part of the solar spectrum where the efficiency of c-Silicon solar cell is low.

  13. InAs/GaSb type II superlattices for advanced 2nd and 3rd generation detectors

    NASA Astrophysics Data System (ADS)

    Walther, Martin; Rehm, Robert; Schmitz, Johannes; Fleissner, Joachim; Rutz, Frank; Kirste, Lutz; Scheibner, Ralf; Wendler, Joachim; Ziegler, Johann

    2010-01-01

    InAs/GaSb short-period superlattices (SL) based on GaSb, InAs and AlSb have proven their great potential for high performance infrared detectors. Lots of interest is currently focused on the development of short-period InAs/GaSb SLs for advanced 2nd and 3rd generation infrared detectors between 3 - 30 μm. For the fabrication of mono- and bispectral thermal imaging systems in the mid-wavelength infrared region (MWIR) a manufacturable technology for high responsivity thermal imaging systems has been developed. InAs/GaSb short-period superlattices can be fabricated with up to 1000 periods in the intrinsic region without revealing diffusion limited behavior. This enables the fabrication of InAs/GaSb SL camera systems with high responsivity comparable to state of the art CdHgTe and InSb detectors. The material system is also ideally suited for the fabrication of dual-color MWIR/MWIR InAs/GaSb SL camera systems with high quantum efficiency for missile approach warning systems with simultaneous and spatially coincident detection in both spectral channels.

  14. Path integral for inflationary perturbations

    NASA Astrophysics Data System (ADS)

    Prokopec, Tomislav; Rigopoulos, Gerasimos

    2010-07-01

    The quantum theory of cosmological perturbations in single-field inflation is formulated in terms of a path integral. Starting from a canonical formulation, we show how the free propagators can be obtained from the well-known gauge-invariant quadratic action for scalar and tensor perturbations, and determine the interactions to arbitrary order. This approach does not require the explicit solution of the energy and momentum constraints, a novel feature which simplifies the determination of the interaction vertices. The constraints and the necessary imposition of gauge conditions is reflected in the appearance of various commuting and anticommuting auxiliary fields in the action. These auxiliary fields are not propagating physical degrees of freedom but need to be included in internal lines and loops in a diagrammatic expansion. To illustrate the formalism we discuss the tree-level three-point and four-point functions of the inflaton perturbations, reproducing the results already obtained by the methods used in the current literature. Loop calculations are left for future work.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Chiral Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Tiburzi, Brian C.

    The era of high-precision lattice QCD has led to synergy between lattice computations and phenomenological input from chiral perturbation theory. We provide an introduction to chiral perturbation theory with a bent towards understanding properties of the nucleon and other low-lying baryons. Four main topics are the basis for this chapter. We begin with a discussion of broken symmetries and the procedure to construct the chiral Lagrangian. The second topic concerns specialized applications of chiral perturbation theory tailored to lattice QCD, such as partial quenching, lattice discretization, and finite-volume effects. We describe inclusion of the nucleon in chiral perturbation theory using a heavy-fermion Euclidean action. Issues of convergence are taken up as our final topic. We consider expansions in powers of the strange-quark mass, and the appearance of unphysical singularities in the heavy-particle formulation. Our aim is to guide lattice practitioners in understanding the predictions chiral perturbation theory makes for baryons, and show how the lattice will play a role in testing the rigor of the chiral expansion at physical values of the quark masses.

  20. Hadronic Structure from Perturbative Dressing

    NASA Astrophysics Data System (ADS)

    Arash, Firooz

    2005-09-01

    Perturbative dressing of a valence quark in QCD produces the internal structure of an extended object, the so-called Valon. The valon structure is universal and independent of the hosting hadron. Polarized and unpolarized proton and pion structure functions are calculated in the valon representation. One finds that although all the available data on g1p,n,d are easily reproduced, a sizable orbital angular momentum associated with the partonic structure of the valon is required in order to have a spin 1/2 valon.

  1. Mode coupling of Schwarzschild perturbations: Ringdown frequencies

    SciTech Connect

    Pazos, Enrique; Brizuela, David; Martin-Garcia, Jose M.; Tiglio, Manuel

    2010-11-15

    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.

  2. Cosmological perturbations in teleparallel Loop Quantum Cosmology

    NASA Astrophysics Data System (ADS)

    Haro, Jaime

    2013-11-01

    Cosmological perturbations in Loop Quantum Cosmology (LQC) are usually studied incorporating either holonomy corrections, where the Ashtekar connection is replaced by a suitable sinus function in order to have a well-defined quantum analogue, or inverse-volume corrections coming from the eigenvalues of the inverse-volume operator. In this paper we will develop an alternative approach to calculate cosmological perturbations in LQC based on the fact that, holonomy corrected LQC in the flat Friedmann-Lemaître-Robertson-Walker (FLRW) geometry could be also obtained as a particular case of teleparallel F(T) gravity (teleparallel LQC). The main idea of our approach is to mix the simple bounce provided by holonomy corrections in LQC with the non-singular perturbation equations given by F(T) gravity, in order to obtain a matter bounce scenario as a viable alternative to slow-roll inflation. In our study, we have obtained an scale invariant power spectrum of cosmological perturbations. However, the ratio of tensor to scalar perturbations is of order 1, which does not agree with the current observations. For this reason, we suggest a model where a transition from the matter domination to a quasi de Sitter phase is produced in order to enhance the scalar power spectrum.

  3. 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.

  4. 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.

  5. Electrocradiographic Qrs Axis, Q Wave and T-wave Changes in 2nd and 3rd Trimester of Normal Pregnancy

    PubMed Central

    S., Chandrasekharappa; Brid, S.V

    2014-01-01

    Background: Pregnancy although a physiological phenomena affects all the functions of the maternal body and brings about remarkable changes in the cardiovascular system. The cardiovascular changes and many of the physiological adaptations of normal pregnancy alter the physical findings thus, sometimes misleading the diagnosis of heart disease. Pregnancy also brings about various changes in the electrocardiogram, further confusing with that of heart disease. This study is undertaken to highlight the effect of normal pregnancy on the QRS axis, Q wave and T-wave of the Electrocardiogram and thereby helps us to distinguish it from that of pathological changes. Objectives: To study the effect of normal pregnancy on the QRS axis, Q wave and T-wave in the electrocardiogram and to compare with that of normal non pregnant women. Materials and Methods: Fifty normal pregnant women in 2nd and 3rd trimester each between 20– 35 y of age and 50 normal non pregnant women of the same age group were selected for the study. A 12 lead ECG was recorded by using ECG machine with special emphasis on QRS axis, Q wave and T-wave changes and all the parameters were analysed. Results: The ECG changes observed in our study include, deviation of QRS axis towards left as pregnancy advanced, significant increased incidence of occurrence of prominent Q waves in lead II, III and avF in pregnant group (p < 0.05 ) and, T-wave abnormalities like flat and inverted T-waves in lead III, V1 – V3 were more frequent in pregnant group ( p<0.05 ) than in non pregnant group. Conclusion:Normal pregnancy brings about various changes in ECG. These changes during pregnancy should be interpretated with caution by the physicians. It is necessary to understand the normal physiological changes which in turn help us in better management of those with cardiac disease. PMID:25386425

  6. 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.

  7. Perturbative Expansion of τ Hadronic Spectral Function Moments

    NASA Astrophysics Data System (ADS)

    Boito, Diogo

    2014-12-01

    In the extraction of αs from hadronic τ decay data several moments of the spectral functions have been employed. Furthermore, different renormalization group improvement (RGI) frameworks have been advocated, leading to conflicting values of αs. Recently, we performed a systematic study of the perturbative behavior of these moments in the context of the two main-stream RGI frameworks: Fixed Order Perturbation Theory (FOPT) and Contour Improved Perturbation Theory (CIPT). The yet unknown higher order coefficients of the perturbative series were modelled using the available knowledge of the renormalon singularities of the QCD Adler function. We were able to show that within these RGI frameworks some of the commonly employed moments should be avoided due to their poor perturbative behavior. Furthermore, under reasonable assumptions about the higher order behavior of the perturbative series FOPT provides the preferred RGI framework.

  8. Equilibrium Structures of Molecules Featuring Bonds Between Second-Row Elements %STRUCTURES of Molecules Containing More than One 2ND-ROW Elements

    NASA Astrophysics Data System (ADS)

    Thorwirth, Sven; Harding, Michael E.

    2010-06-01

    Equilibrium geometries of a set of molecules containing chemical bonds between second-row elements (Al, Si, P, S, Cl) have been evaluated at the CCSD(T) level of theory in combination with large basis sets. The results of these calculations are compared against equilibrium values from experiment. Purely experimental equilibrium structures are only available for very few molecules of this kind. Consequently, empirical equilibrium structural parameters for the majority of members of the set had to be determined using ground-state rotational constants corrected for zero-point vibrational effects. The latter were obtained by second-order vibrational perturbation theory employing coupled-cluster calculations of anharmonic force fields.

  9. Supersymmetry restoration in superstring perturbation theory

    NASA Astrophysics Data System (ADS)

    Sen, Ashoke

    2015-12-01

    Superstring perturbation theory based on the 1PI effective theory approach has been useful for addressing the problem of mass renormalization and vacuum shift. We derive Ward identities associated with space-time supersymmetry transformation in this approach. This leads to a proof of the equality of renormalized masses of bosons and fermions and identities relating fermionic amplitudes to bosonic amplitudes after taking into account the effect of mass renormalization. This also relates unbroken supersymmetry to a given order in perturbation theory to absence of tadpoles of massless scalars to higher order. The results are valid at the perturbative vacuum as well as in the shifted vacuum when the latter describes the correct ground state of the theory. We apply this to SO(32) heterotic string theory on Calabi-Yau 3-folds where a one loop Fayet-Iliopoulos term apparently breaks supersymmetry at one loop, but analysis of the low energy effective field theory indicates that there is a nearby vacuum where supersymmetry is restored. We explicitly prove that the perturbative amplitudes of this theory around the shifted vacuum indeed satisfy the Ward identities associated with unbroken supersymmetry. We also test the general arguments by explicitly verifying the equality of bosonic and fermionic masses at one loop order in the shifted vacuum, and the appearance of two loop dilaton tadpole in the perturbative vacuum where supersymmetry is expected to be broken.

  10. 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.

  11. Perturbative Lagrangian approach to gravitational instability.

    NASA Astrophysics Data System (ADS)

    Bouchet, F. R.; Colombi, S.; Hivon, E.; Juszkiewicz, R.

    1995-04-01

    This paper deals with the time evolution in the matter era of perturbations in Friedman-Lemaitre models with arbitrary density parameter {OMEGA}, with either a zero cosmological constant, {LAMBDA}=0, or with a non-zero cosmological constant in a spatially flat Universe. Unlike the classical Eulerian approach where the density contrast is expanded in a perturbative series, this analysis relies instead on a perturbative expansion of particles trajectories in Lagrangian coordinates. This brings a number of advantages over the classical analysis. In particular, it enables the description of stronger density contrasts. Indeed the linear term in the Lagrangian perturbative series is the famous Zeldovich approximate solution (1970). The idea to consider the higher order terms was introduced by Moutarde et al. (1991), generalized by Bouchet et al. (1992), and further developed by many others. We present here a systematic and detailed account of this approach. We give analytical results (or fits to numerical results) up to the third order (which is necessary to compute, for instance, the four point spatial correlation function or the corrections to the linear evolution of the two-point correlation function, as well as the secondary temperature anisotropies of the Cosmic Microwave Background). We then proceed to explore the link between the Lagrangian description and statistical measures. We show in particular that Lagrangian perturbation theory provides a natural framework to compute the effect of redshift distortions, using the skewness of the density distribution function as an example. Finally, we show how well the second order theory does as compared to other approximations in the case of spherically symmetric perturbations. We also compare this second order approximation and Zeldovich solution to N-body simulations with scale-free (n=-2) Gaussian initial conditions. We find that second order theory is both simple and powerful.

  12. First and second-order-motion perception after focal human brain lesions

    PubMed Central

    Rizzo, Matthew; Nawrot, Mark; Sparks, JonDavid; Dawson, Jeffrey

    2011-01-01

    Perception of visual motion includes a 1st-order mechanism sensitive to luminance changes and a 2nd-order motion mechanism sensitive to contrast changes. We studied neural substrates for these motion types in 142 subjects with visual cortex lesions, 68 normal controls and 28 brain lesion controls. On 1st-order motion, the visual cortex lesion group performed significantly worse than normal controls overall and in each hemifield, but 2nd-order motion did not differ. Only 1 individual showed a selective 2nd-order motion deficit. Motion deficits were seen with lesions outside the small occipitotemporal region thought to contain a human homolog of motion processing area MT (V5), suggesting that many areas of human brain process visual motion. PMID:18440580

  13. Liouvillian perturbations of black holes

    NASA Astrophysics Data System (ADS)

    Couch, W. E.; Holder, C. L.

    2007-10-01

    We apply the well-known Kovacic algorithm to find closed form, i.e., Liouvillian solutions, to the differential equations governing perturbations of black holes. Our analysis includes the full gravitational perturbations of Schwarzschild and Kerr, the full gravitational and electromagnetic perturbations of Reissner-Nordstrom, and specialized perturbations of the Kerr-Newman geometry. We also include the extreme geometries. We find all frequencies ω, in terms of black hole parameters and an integer n, which allow Liouvillian perturbations. We display many classes of black hole parameter values and their corresponding Liouvillian perturbations, including new closed-form perturbations of Kerr and Reissner-Nordstrom. We also prove that the only type 1 Liouvillian perturbations of Schwarzschild are the known algebraically special ones and that type 2 Liouvillian solutions do not exist for extreme geometries. In cases where we do not prove the existence or nonexistence of Liouvillian perturbations we obtain sequences of Diophantine equations on which decidability rests.

  14. Studies of Nondefective Adenovirus 2-Simian Virus 40 Hybrid Viruses III. Base Composition, Molecular Weight, and Conformation of the Ad2+ND1 Genome

    PubMed Central

    Crumpacker, Clyde S.; Henry, Patrick H.; Kakefuda, Tuyoski; Rowe, Wallace P.; Levin, Myron J.; Lewis, Andrew M.

    1971-01-01

    The nondefective adenovirus 2 (Ad2)-simian virus 40 (SV40) hybrid virus, Ad2+ND1, differs from the defective Ad-SV40 hybrid populations previously described, in that this hybrid virus can replicate without the aid of nonhybrid adenovirus helper. Consequently, the deoxyribonucleic acid (DNA) from this virus, which can be obtained free of nonhybrid adenovirus DNA, is well suited for biophysical studies on Ad-SV40 hybrid DNA. Such studies have been performed and demonstrate Ad2+ND1 DNA to have a buoyant density (1.715 g/cm3) and thermal denaturation profile (Tm = 75.1 C) almost identical with nonhybrid Ad2 DNA. Furthermore, its molecular weight, as determined by analytical zone sedimentation and electron microscopy, was 22 × 106 to 25 × 106 daltons, which is also very similar to that determined for Ad2. Electron micrographs showed all of the hybrid molecules to be double-stranded and linear. By using this determination of the molecular weight of Ad2+ND1 DNA and assuming that 1% of this molecule consists of covalently linked SV40 DNA (see companion paper), we calculate that the hybrid DNA molecule contains 220 × 103 to 250 × 103 daltons of SV40 DNA, or the equivalent of one-tenth of the SV40 genome. PMID:4323710

  15. Realizable high-order finite-volume schemes for quadrature-based moment methods applied to diffusion population balance equations

    NASA Astrophysics Data System (ADS)

    Vikas, V.; Wang, Z. J.; Fox, R. O.

    2013-09-01

    Population balance equations with advection and diffusion terms can be solved using quadrature-based moment methods. Recently, high-order realizable finite-volume schemes with appropriate realizability criteria have been derived for the advection term. However, hitherto no work has been reported with respect to realizability problems for the diffusion term. The current work focuses on developing high-order realizable finite-volume schemes for diffusion. The pitfalls of existing finite-volume schemes for the diffusion term based on the reconstruction of moments are discussed, and it is shown that realizability can be guaranteed only with the 2nd-order scheme and that the realizability criterion for the 2nd-order scheme is the same as the stability criterion. However, realizability of moments cannot be guaranteed when higher-order moment-based reconstruction schemes are used. To overcome this problem, realizable high-order finite-volume schemes based on the reconstruction of weights and abscissas are proposed and suitable realizability criteria are derived. The realizable schemes can achieve higher than 2nd-order accuracy for problems with smoothly varying abscissas. In the worst-case scenario of highly nonlinear abscissas, the realizable schemes are 2nd-order accurate but have lower error magnitudes compared to existing schemes. The results obtained using the realizable high-order schemes are shown to be consistent with those obtained using the 2nd-order moment-based reconstruction scheme.

  16. 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.

  17. EDITORIAL: Selected Papers from OMS'07, the 2nd Topical Meeting of the European Optical Society on Optical Microsystems (OMS)

    NASA Astrophysics Data System (ADS)

    Rendina, Ivo; Fazio, Eugenio; Ferraro, Pietro

    2008-06-01

    OMS'07 was the 2nd Topical Meeting of the European Optical Society (EOS) on Optical Microsystems (OMS). It was organized by the EOS in the frame of its international topical meeting activity, and after the success of the inaugural meeting was once again held in Italy, 30 September to 3 October 2007, amidst the wonderful scenery of the Island of Capri. The local organizing committee was composed of researchers from `La Sapienza' University in Rome and the National Council of Research (CNR) in Naples, Italy. A selected group of leading scientists in the field formed the international scientific committee. The conference was fully dedicated to the most recent advancements carried out in the field of optical microsystems. More then 150 scientists coming from five continents attended the conference and more than 100 papers were presented, organized into the following sessions: Photonic cystals and metamaterials Optofluidic microsystems and devices Optical microsystems and devices New characterization methods for materials and devices Application of optical systems Optical sources and photodetectors Optical resonators Nonlinear optic devices Micro-optical devices. Four keynote lecturers were invited for the Plenary sessions: Federico Capasso, Harvard University, USA; Bahram Javidi, University of Connecticut, USA (Distinguished Lecturer, Emeritus of LEOS--IEEE Society); Demetri Psaltis, EPFL, Lausanne, Switzerland; Ammon Yariv, California Institute of Technology, USA. Furthermore, 21 invited speakers opened each session of the conference with their talks. In addition a special session was organized to celebrate eighty years of the Isituto Nazionale di Ottica Applicata (INOA) of CNR. The special invited speaker for this session was Professor Theodor W Hänsch (Nobel Prize in Physics, 2005), who gave a lecture entitled `What can we do with optical frequency combs?' In this special issue of Journal of Optics A: Pure and Applied Optics, a selection of the most interesting

  18. 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

  19. Thermochemistry of glasses along the 2NdAlO3 3SiO2 join

    NASA Astrophysics Data System (ADS)

    Zhang, Yahong; Navrotsky, Alexandra; Tangeman, Jean A.; Weber, J. K. Richard

    2003-08-01

    Five Nd-aluminosilicate glasses along the 2NdAlO3-3SiO2 join were synthesized using conventional drop-quench techniques. A sixth glass, with the end-member NdAlO3 composition, required synthesis by containerless liquid-phase processing methods to avoid crystallization. Enthalpies of drop solution (DeltaHds) and formation (DeltaHf) for the Nd-aluminosilicate glasses and the NdAlO3-composition end-member glass were measured in molten 2PbO-B2O3 at 1078 K in a twin Calvet type calorimeter. Values for DeltaHds for the Nd-aluminosilicate glasses increase with decreasing silica content from 130.7 +/- 1.5 to 149.6 +/- 0.6 kJ mol-1. Similarly, values of DeltaHf increase with decreasing silica content from 41.0 +/- 2.0 to 59.0 +/- 1.6 kJ mol-1. Values of DeltaHds and DeltaHf for NdAlO3-composition glass were measured as 99.3 +/- 0.9 and 139.2 +/- 2.1 kJ mol-1, respectively. Using transposed temperature drop calorimetry, the enthalpy of vitrification for NdAlO3-composition glass was measured as 69.5 +/- 0.9 kJ mol-1 relative to the stable crystalline neodymium aluminium perovskite (NdAlO3) phase. Enthalpies of mixing were calculated based on amorphous end members; the strongly negative values support the absence of immiscibility in this system. Differential scanning calorimetry was used to determine glass transition (Tg) and crystallization (Tx) temperatures, as well as values for the configurational heat capacity (DeltaCP(Tg)) and the temperature range of the supercooled liquid interval (DeltaT(SCL)). The NdAlO3-composition glass showed no evidence of a glass transition prior to crystallization; only a single exotherm was observed, the onset of which occurred at 1045 K. For the Nd-aluminosilicates, values of Tg and DeltaT(SCL) increase with increasing silica content, from 1128 to 1139 K and from ~95 to ~175 K, respectively. Values of (DeltaCP(Tg)) increase with decreasing silica content, from ~27 to ~75 J/g fw lowastK, reflecting the increasing fragility and decreasing

  20. Cohomology Methods in Causal Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Grigore, D. R.

    2010-01-01

    Various problems in perturbation theory of (quantum) gauge models can be rephrased in the language of cohomology theory. This was already noticed in the functional formulation of perturbative gauge theories. Causal perturbation theory is a fully quantum approach: is works only with the chronological products which are defined as operator-valued distributions in the Fock space of the model. The use of causal perturbation theory leads to similar cohomology problems; the main difference with respect to the functional methods comes from the fact that the gauge transformation of the causal approach is, essentially, the linear part of the non-linear BRST transformation. Using these methods it is possible to give a nice determination of the interaction Lagrangians for gauge models (Yang-Mills and gravitation in the linear approximation); one obtains with this method the unicity of the interaction Lagrangian up to trivial terms. The case of quantum gravity is highly non-trivial and can be generalized with this method to the massive graviton case. Going to higher orders of perturbation theory one finds quantum anomalies. Again the cohomological methods can be used to determine the generic form of these anomalies. Finally, one can investigate the arbitrariness of the chronological products in higher orders and reduce this problem to cohomology methods also.

  1. Rolling axions during inflation: perturbativity and signatures

    NASA Astrophysics Data System (ADS)

    Peloso, Marco; Sorbo, Lorenzo; Unal, Caner

    2016-09-01

    The motion of a pseudo-scalar field X during inflation naturally induces a significant amplification of the gauge fields to which it is coupled. The amplified gauge fields can source characteristic scalar and tensor primordial perturbations. Several phenomenological implications have been discussed in the cases in which (i) X is the inflaton, and (ii) X is a field different from the inflaton, that experiences a temporary speed up during inflation. In this second case, visible sourced gravitational waves (GW) can be produced at the CMB scales without affecting the scalar perturbations, even if the scale of inflation is several orders of magnitude below what is required to produce a visible vacuum GW signal. Perturbativity considerations can be used to limit the regime in which these results are under perturbative control. We revised limits recently claimed for the case (i), and we extend these considerations to the case (ii). We show that, in both cases, these limits are satisfied by the applications that generate signals at CMB scales. Applications that generate gravitational waves and primordial black holes at much smaller scales are at the limit of the validity of this perturbativity analysis, so we expect those results to be valid up to possibly order one corrections.

  2. Aspects of perturbative unitarity

    NASA Astrophysics Data System (ADS)

    Anselmi, Damiano

    2016-07-01

    We reconsider perturbative unitarity in quantum field theory and upgrade several arguments and results. The minimum assumptions that lead to the largest time equation, the cutting equations and the unitarity equation are identified. Using this knowledge and a special gauge, we give a new, simpler proof of perturbative unitarity in gauge theories and generalize it to quantum gravity, in four and higher dimensions. The special gauge interpolates between the Feynman gauge and the Coulomb gauge without double poles. When the Coulomb limit is approached, the unphysical particles drop out of the cuts and the cutting equations are consistently projected onto the physical subspace. The proof does not extend to nonlocal quantum field theories of gauge fields and gravity, whose unitarity remains uncertain.

  3. Topology and perturbation theory

    NASA Astrophysics Data System (ADS)

    Manjavidze, J.

    2000-08-01

    This paper contains description of the fields nonlinear modes successive quantization scheme. It is shown that the path integrals for absorption part of amplitudes are defined on the Dirac (δ-like) functional measure. This permits arbitrary transformation of the functional integral variables. New form of the perturbation theory achieved by mapping the quantum dynamics in the space WG of the (action, angle)-type collective variables. It is shown that the transformed perturbation theory contributions are accumulated exactly on the boundary ∂WG. Abilities of the developed formalism are illustrated by the Coulomb problem. This model is solved in the WC=(angle, angular momentum, Runge-Lentz vector) space and the reason of its exact integrability is emptiness of ∂WC.

  4. Intermolecular perturbation theory

    NASA Astrophysics Data System (ADS)

    Hayes, I. C.; Hurst, G. J. B.; Stone, A. J.

    The new intermolecular perturbation theory described in the preceding papers is applied to some van der Waals molecules. HeBe is used as a test case, and the perturbation method converges well at interatomic distances down to about 4 a0, giving results in excellent agreement with supermolecule calculations. ArHF and ArHCl have been studied using large basis sets, and the results agree well with experimental data. The ArHX configuration is favoured over the ArXH configuration mainly because of larger polarization and charge-transfer contributions. In NeH2 the equilibrium geometry is determined by a delicate balance between opposing effects; with a double-zeta-polarization basis the correct configuration is predicted.

  5. Equation-of-motion coupled cluster perturbation theory revisited

    SciTech Connect

    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.

  6. 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)

  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. Robustness of braneworld scenarios against tensorial perturbations

    NASA Astrophysics Data System (ADS)

    Bazeia, D.; Losano, L.; Menezes, R.; Olmo, Gonzalo J.; Rubiera-Garcia, D.

    2015-11-01

    Inspired by the peculiarities of the effective geometry of crystalline structures, we reconsider thick brane scenarios from a metric-affine perspective. We show that for a rather general family of theories of gravity, whose Lagrangian is an arbitrary function of the metric and the Ricci tensor, the background and scalar field equations can be written in first-order form, and tensorial perturbations have a non negative definite spectrum, which makes them stable under linear perturbations regardless of the form of the gravity Lagrangian. We find, in particular, that the tensorial zero modes are exactly the same as predicted by Einstein’s theory regardless of the scalar field and gravitational Lagrangians.

  9. 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.

  10. Interactions of Blast Waves with Perturbed Interfaces

    NASA Astrophysics Data System (ADS)

    Henry de Frahan, Marc; Johnsen, Eric

    2015-11-01

    Richtmyer-Meshkov and Rayleigh-Taylor instabilities induce hydrodynamic mixing in many important physical systems such as inertial confinement fusion, supernova collapse, and scramjet combustion. Blast waves interacting with perturbed interfaces are prevelant in such applications and dictate the mixing dynamics. This study increases our understanding of blast-driven hydrodynamic instabilities by providing models for the time-dependent perturbation growth and vorticity production mechanisms. The strength and length of the blast wave determine the different growth regimes and the importance of the Richtmyer-Meshkov or Rayleigh-Taylor growth. Our analysis is based on simulations of a 2D planar blast wave, modeled by a shock (instantaneous acceleration) followed by a rarefaction (time-dependent deceleration), interacting with a sinusoidal perturbation at an interface between two fluids. A high-order accurate Discontinuous Galerkin method is used to solve the multifluid Euler equations.

  11. Perturbation measurement of waveguides for acoustic thermometry

    NASA Astrophysics Data System (ADS)

    Lin, H.; Feng, X. J.; Zhang, J. T.

    2013-09-01

    Acoustic thermometers normally embed small acoustic transducers in the wall bounding a gas-filled cavity resonator. At high temperature, insulators of transducers loss electrical insulation and degrade the signal-to-noise ratio. One essential solution to this technical trouble is to couple sound by acoustic waveguides between resonator and transducers. But waveguide will break the ideal acoustic surface and bring perturbations(Δf+ig) to the ideal resonance frequency. The perturbation model for waveguides was developed based on the first-order acoustic theory in this paper. The frequency shift Δf and half-width change g caused by the position, length and radius of waveguides were analyzed using this model. Six different length of waveguides (52˜1763 mm) were settled on the cylinder resonator and the perturbation (Δf+ig) were measured at T=332 K and p=250˜500 kPa. The experiment results agreed with the theoretical prediction very well.

  12. Disentangling perturbative and power corrections in precision tau decay analysis

    SciTech Connect

    Gorbunov, D.S.; Pivovarov, A.A.

    2005-01-01

    Hadronic tau decay precision data are analyzed with account of both perturbative and power corrections of high orders within QCD. It is found that contributions of high order power corrections are essential for extracting a numerical value for the strange quark mass from the data on Cabibbo suppressed tau decays. We show that with inclusion of new five-loop perturbative corrections in the analysis the convergence of perturbation theory remains acceptable only for few low order moments. We obtain m{sub s}(M{sub {tau}})=130{+-}27 MeV in agreement with previous estimates.

  13. 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. PMID:24683357

  14. Discrete reductive perturbation technique

    SciTech Connect

    Levi, Decio; Petrera, Matteo

    2006-04-15

    We expand a partial difference equation (P{delta}E) on multiple lattices and obtain the P{delta}E which governs its far field behavior. The perturbative-reductive approach is here performed on well-known nonlinear P{delta}Es, both integrable and nonintegrable. We study the cases of the lattice modified Korteweg-de Vries (mKdV) equation, the Hietarinta equation, the lattice Volterra-Kac-Van Moerbeke equation and a nonintegrable lattice KdV equation. Such reductions allow us to obtain many new P{delta}Es of the nonlinear Schroedinger type.

  15. 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.

  16. 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

  17. [Influence of hypocaloric diet with addition of a vitamin-mineral complex on status of patients with obesity 1st and 2nd degrees].

    PubMed

    Sharafetdinov, Kh Kh; Plotnikova, O A; Zykina, V V; Mal'tsev, G Iu; Sokol'nikov, A A; Kaganov, B S

    2011-01-01

    Addition of a vitamin-mineral complex (VMC) to a standard hypocaloric diet leads to a positive dynamics of antropometric characteristics in patients with obesity 1st and 2nd degrees which is comparable to effectiveness of standard dietotherapy (dietary treatment) traditionally used in complex treatment of obesity. Addition of 1,8 mg of vitamin B2 as part of VMC to a hypocaloric diet is shown to be inadequate in eradication of marginal provision of riboflavin when using diets reduced in calories. PMID:22232885

  18. Staggered heavy baryon chiral perturbation theory

    NASA Astrophysics Data System (ADS)

    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(mπ3), which come from loops with virtual octet-like states. Taste violations enter through the meson propagators in loops and tree-level terms of O(a2). 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.

  19. 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.

  20. PREFACE: 2nd International Conference on Particle Physics in memoriam Engin Arık and her Colleagues

    NASA Astrophysics Data System (ADS)

    Çetin, Serkant Ali; Jenni, Peter; Erkcan Özcan, Veysi; Nefer Şenoğuz, Vedat

    2012-02-01

    The 2nd International Conference on Particle Physics in memoriam Engin Arık and her Colleagues: Fatma Şenel Boydağ, İskender Hikmet, Mustafa Fidan, Berkol Doğan and Engin Abat was held at Doğuş University, İstanbul, Turkey on 20-25 June 2011. The conference was organized jointly by the Doğuş and Boğaziçi Universities, with support from CERN and the Turkish Academy of Sciences. This was the second International Conference on Particle Physics (ICPP) organized in memory of Engin Arık and her Colleagues who lost their lives in the tragic plane accident on November 30 2007, on their way to the workshop of the Turkish Accelerator Center (TAC) Project. The first of this conference series was held on 27-31 October 2008 at Boğaziçi University, İstanbul, Turkey. The conference is intended to be repeated every two years in Istanbul as a Conference Series under the name 'ICPP-Istanbul'. Professor Engin Arık had a pioneering role in experimental particle physics in Turkey, and was an inspiring teacher to many colleagues. She led the Turkish participation in experiments at CERN such as CHARMII, SMC, CHORUS, ATLAS and CAST. One of her latest involvements was in the national project to design the Turkish Accelerator Center with the collaboration of 10 Turkish universities including Doğuş and Boğaziçi. Our dear colleagues not only participated in the TAC project but also collaborated on the ATLAS (E Arık, E Abat and B Doğan) and CAST (E Arık, F Şenel Boydağ, İ Hikmet and B Doğan) experiments. We believe that the ICPP-Istanbul conference series has been, and will always be, a way to commemorate them in a most appropriate context. The topics covered in ICPP-Istanbul-II were 'LHC Physics and Tevatron Results', 'Neutrinos and Dark Matter', 'Particle Factories' and 'Accelerator Physics and Future TeV Scale Colliders'. The main emphasis was on the recent experimental results in high-energy physics with discussions on expectations from existing or future

  1. Flatbands under Correlated Perturbations

    NASA Astrophysics Data System (ADS)

    Bodyfelt, Joshua D.; Leykam, Daniel; Danieli, Carlo; Yu, Xiaoquan; Flach, Sergej

    2014-12-01

    Flatband networks are characterized by the coexistence of dispersive and flatbands. Flatbands (FBs) are generated by compact localized eigenstates (CLSs) with local network symmetries, based on destructive interference. Correlated disorder and quasiperiodic potentials hybridize CLSs without additional renormalization, yet with surprising consequences: (i) states are expelled from the FB energy EFB, (ii) the localization length of eigenstates vanishes as ξ ˜1 /ln (E -EFB) , (iii) the density of states diverges logarithmically (particle-hole symmetry) and algebraically (no particle-hole symmetry), and (iv) mobility edge curves show algebraic singularities at EFB . Our analytical results are based on perturbative expansions of the CLSs and supported by numerical data in one and two lattice dimensions.

  2. Flatbands under correlated perturbations.

    PubMed

    Bodyfelt, Joshua D; Leykam, Daniel; Danieli, Carlo; Yu, Xiaoquan; Flach, Sergej

    2014-12-01

    Flatband networks are characterized by the coexistence of dispersive and flatbands. Flatbands (FBs) are generated by compact localized eigenstates (CLSs) with local network symmetries, based on destructive interference. Correlated disorder and quasiperiodic potentials hybridize CLSs without additional renormalization, yet with surprising consequences: (i) states are expelled from the FB energy E_{FB}, (ii) the localization length of eigenstates vanishes as ξ∼1/ln(E-E_{FB}), (iii) the density of states diverges logarithmically (particle-hole symmetry) and algebraically (no particle-hole symmetry), and (iv) mobility edge curves show algebraic singularities at E_{FB}. Our analytical results are based on perturbative expansions of the CLSs and supported by numerical data in one and two lattice dimensions. PMID:25526142

  3. Discrete Newtonian cosmology: perturbations

    NASA Astrophysics Data System (ADS)

    Ellis, George F. R.; Gibbons, Gary W.

    2015-03-01

    In a previous paper (Gibbons and Ellis 2014 Discrete Newtonian cosmology Class. Quantum Grav. 31 025003), we showed how a finite system of discrete particles interacting with each other via Newtonian gravitational attraction would lead to precisely the same dynamical equations for homothetic motion as in the case of the pressure-free Friedmann-Lemaître-Robertson-Walker cosmological models of general relativity theory, provided the distribution of particles obeys the central configuration equation. In this paper we show that one can obtain perturbed such Newtonian solutions that give the same linearized structure growth equations as in the general relativity case. We also obtain the Dmitriev-Zel’dovich equations for subsystems in this discrete gravitational model, and show how it leads to the conclusion that voids have an apparent negative mass.

  4. Drell-Yan lepton angular distributions in perturbative QCD

    NASA Astrophysics Data System (ADS)

    Lambertsen, Martin; Vogelsang, Werner

    2016-06-01

    We present a comprehensive comparison of the available experimental data for the Drell-Yan lepton angular coefficients λ and ν to calculations at leading and next-to-leading order of perturbative QCD. To obtain the next-to-leading order corrections, we make use of publicly available numerical codes that allow us to compute the Drell-Yan cross section at second order in perturbation theory and from which the contributions we need can be extracted. Our comparisons reveal that perturbative QCD is able to describe the experimental data overall rather well, especially at colliders, but also in the fixed-target regime. On the basis of the angular coefficients alone, there appears to be little (if any) convincing evidence for effects that go beyond fixed-order collinear factorized perturbation theory, although the presence of such effects is not ruled out.

  5. 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…

  6. 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.

  7. 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.

  8. Quantum field perturbation theory revisited

    NASA Astrophysics Data System (ADS)

    Matone, Marco

    2016-03-01

    Schwinger's formalism in quantum field theory can be easily implemented in the case of scalar theories in D dimension with exponential interactions, such as μDexp (α ϕ ). In particular, we use the relation exp (α δ/δ J (x ) )exp (-Z0[J ])=exp (-Z0[J +αx]) with J the external source, and αx(y )=α δ (y -x ). Such a shift is strictly related to the normal ordering of exp (α ϕ ) and to a scaling relation which follows by renormalizing μ . Next, we derive a new formulation of perturbation theory for the potentials V (ϕ )=λ/n ! :ϕn: , using the generating functional associated to :exp (α ϕ ):. The Δ (0 )-terms related to the normal ordering are absorbed at once. The functional derivatives with respect to J to compute the generating functional are replaced by ordinary derivatives with respect to auxiliary parameters. We focus on scalar theories, but the method is general and similar investigations extend to other theories.

  9. Hyperfine structure and lifetime measurements in the 4s2nd 2D3/2 Rydberg sequence of Ga I by time-resolved laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Liu, Chunqing; Tian, Yanshan; Yu, Qi; Bai, Wanshuang; Wang, Xinghao; Wang, Chong; Dai, Zhenwen

    2016-05-01

    The hyperfine structure (HFS) constants of the 4s2nd 2D3/2 (n=6-18) Rydberg sequence and the 4s26p 2P3/2 level for two isotopes of 69Ga and 71Ga atoms were measured by means of the time-resolved laser-induced fluorescence (TR-LIF) technique and the quantum beat method. The observed hyperfine quantum beat spectra were analyzed and the magnetic-dipole HFS constants A as well as the electric-quadrupole HFS constants B of these levels were obtained by Fourier transform and a program for multiple regression analysis. Also using TR-LIF method radiative lifetimes of the above sequence states were determined at room temperature. The measured lifetime values range from 69 to 2279 ns with uncertainties no more than 10%. To our knowledge, the HFS constants of this Rydberg sequence and the lifetimes of the 4s2nd 2D3/2 (n=10-18) levels are reported for the first time. Good agreement between our results and the previous is achieved.

  10. 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.

  11. Canonical density matrix perturbation theory.

    PubMed

    Niklasson, Anders M N; Cawkwell, M J; Rubensson, Emanuel H; Rudberg, Elias

    2015-12-01

    Density matrix perturbation theory [Niklasson and Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] is generalized to canonical (NVT) free-energy ensembles in tight-binding, Hartree-Fock, or Kohn-Sham density-functional theory. The canonical density matrix perturbation theory can be used to calculate temperature-dependent response properties from the coupled perturbed self-consistent field equations as in density-functional perturbation theory. The method is well suited to take advantage of sparse matrix algebra to achieve linear scaling complexity in the computational cost as a function of system size for sufficiently large nonmetallic materials and metals at high temperatures. PMID:26764847

  12. 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…

  13. 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.

  14. 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%.

  15. Do cosmological perturbations have zero mean?

    SciTech Connect

    Armendariz-Picon, Cristian

    2011-03-01

    A central assumption in our analysis of cosmic structure is that cosmological perturbations have a constant ensemble mean, which can be set to zero by appropriate choice of the background. This property is one of the consequences of statistical homogeneity, the invariance of correlation functions under spatial translations. In this article we explore whether cosmological perturbations indeed have zero mean, and thus test one aspect of statistical homogeneity. We carry out a classical test of the zero mean hypothesis against a class of alternatives in which primordial perturbations have inhomogeneous non-vanishing means, but homogeneous and isotropic covariances. Apart from Gaussianity, our test does not make any additional assumptions about the nature of the perturbations and is thus rather generic and model-independent. The test statistic we employ is essentially Student's t statistic, applied to appropriately masked, foreground-cleaned cosmic microwave background anisotropy maps produced by the WMAP mission. We find evidence for a non-zero mean in a particular range of multipoles, but the evidence against the zero mean hypothesis goes away when we correct for multiple testing. We also place constraints on the mean of the temperature multipoles as a function of angular scale. On angular scales smaller than four degrees, a non-zero mean has to be at least an order of magnitude smaller than the standard deviation of the temperature anisotropies.

  16. Degenerate adiabatic perturbation theory: Foundations and applications

    NASA Astrophysics Data System (ADS)

    Rigolin, Gustavo; Ortiz, Gerardo

    2014-08-01

    We present details and expand on the framework leading to the recently introduced degenerate adiabatic perturbation theory [Phys. Rev. Lett. 104, 170406 (2010), 10.1103/PhysRevLett.104.170406], and on the formulation of the degenerate adiabatic theorem, along with its necessary and sufficient conditions [given in Phys. Rev. A 85, 062111 (2012), 10.1103/PhysRevA.85.062111]. We start with the adiabatic approximation for degenerate Hamiltonians that paves the way to a clear and rigorous statement of the associated degenerate adiabatic theorem, where the non-Abelian geometric phase (Wilczek-Zee phase) plays a central role to its quantitative formulation. We then describe the degenerate adiabatic perturbation theory, whose zeroth-order term is the degenerate adiabatic approximation, in its full generality. The parameter in the perturbative power-series expansion of the time-dependent wave function is directly associated to the inverse of the time it takes to drive the system from its initial to its final state. With the aid of the degenerate adiabatic perturbation theory we obtain rigorous necessary and sufficient conditions for the validity of the adiabatic theorem of quantum mechanics. Finally, to illustrate the power and wide scope of the methodology, we apply the framework to a degenerate Hamiltonian, whose closed-form time-dependent wave function is derived exactly, and also to other nonexactly solvable Hamiltonians whose solutions are numerically computed.

  17. Entropy perturbations in N-flation

    SciTech Connect

    Cai Ronggen; Hu Bin; Piao Yunsong

    2009-12-15

    In this paper we study the entropy perturbations in N-flation by using the {delta}N formalism. We calculate the entropy corrections to the power spectrum of the overall curvature perturbation P{sub {zeta}}. We obtain an analytic form of the transfer coefficient T{sub RS}{sup 2}, which describes the correlation between the curvature and entropy perturbations, and investigate its behavior numerically. It turns out that the entropy perturbations cannot be neglected in N-flation because the amplitude of entropy components is approximately in the same order as the adiabatic one at the end of inflation T{sub RS}{sup 2}{approx}O(1). The spectral index n{sub S} is calculated and it becomes smaller after the entropy modes are taken into account, i.e., the spectrum becomes redder, compared to the pure adiabatic case. Finally we study the modified consistency relation of N-flation, and find that the tensor-to-scalar ratio (r{approx_equal}0.006) is greatly suppressed by the entropy modes, compared to the pure adiabatic one (r{approx_equal}0.017) at the end of inflation.

  18. 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. PMID:17776019

  19. Resumming the string perturbation series

    NASA Astrophysics Data System (ADS)

    Grassi, Alba; Mariño, Marcos; Zakany, Szabolcs

    2015-05-01

    We use the AdS/CFT correspondence to study the resummation of a perturbative genus expansion appearing in the type II superstring dual of ABJM theory. Although the series is Borel summable, its Borel resummation does not agree with the exact non-perturbative answer due to the presence of complex instantons. The same type of behavior appears in the WKB quantization of the quartic oscillator in Quantum Mechanics, which we analyze in detail as a toy model for the string perturbation series. We conclude that, in these examples, Borel summability is not enough for extracting non-perturbative information, due to non-perturbative effects associated to complex instantons. We also analyze the resummation of the genus expansion for topological string theory on local , which is closely related to ABJM theory. In this case, the non-perturbative answer involves membrane instantons computed by the refined topological string, which are crucial to produce a well-defined result. We give evidence that the Borel resummation of the perturbative series requires such a non-perturbative sector.

  20. On dark energy isocurvature perturbation

    SciTech Connect

    Liu, Jie; Zhang, Xinmin; Li, Mingzhe E-mail: limz@nju.edu.cn

    2011-06-01

    Determining the equation of state of dark energy with astronomical observations is crucially important to understand the nature of dark energy. In performing a likelihood analysis of the data, especially of the cosmic microwave background and large scale structure data the dark energy perturbations have to be taken into account both for theoretical consistency and for numerical accuracy. Usually, one assumes in the global fitting analysis that the dark energy perturbations are adiabatic. In this paper, we study the dark energy isocurvature perturbation analytically and discuss its implications for the cosmic microwave background radiation and large scale structure. Furthermore, with the current astronomical observational data and by employing Markov Chain Monte Carlo method, we perform a global analysis of cosmological parameters assuming general initial conditions for the dark energy perturbations. The results show that the dark energy isocurvature perturbations are very weakly constrained and that purely adiabatic initial conditions are consistent with the data.

  1. Computing singularities of perturbation series

    SciTech Connect

    Kvaal, Simen; Jarlebring, Elias; Michiels, Wim

    2011-03-15

    Many properties of current ab initio approaches to the quantum many-body problem, both perturbational and otherwise, are related to the singularity structure of the Rayleigh-Schroedinger perturbation series. A numerical procedure is presented that in principle computes the complete set of singularities, including the dominant singularity which limits the radius of convergence. The method approximates the singularities as eigenvalues of a certain generalized eigenvalue equation which is solved using iterative techniques. It relies on computation of the action of the Hamiltonian matrix on a vector and does not rely on the terms in the perturbation series. The method can be useful for studying perturbation series of typical systems of moderate size, for fundamental development of resummation schemes, and for understanding the structure of singularities for typical systems. Some illustrative model problems are studied, including a helium-like model with {delta}-function interactions for which Moeller-Plesset perturbation theory is considered and the radius of convergence found.

  2. 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

  3. 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

  4. Analyzing molecular static linear response properties with perturbed localized orbitals

    NASA Astrophysics Data System (ADS)

    Autschbach, Jochen; King, Harry F.

    2010-07-01

    Perturbed localized molecular orbitals (LMOs), correct to first order in an applied static perturbation and consistent with a chosen localization functional, are calculated using analytic derivative techniques. The formalism is outlined for a general static perturbation and variational localization functionals. Iterative and (formally) single-step approaches are compared. The implementation employs an iterative sequence of 2×2 orbital rotations. The procedure is verified by calculations of molecular electric-field perturbations. Boys LMO contributions to the electronic static polarizability and the electric-field perturbation of the ⟨r2⟩ expectation value are calculated and analyzed for ethene, ethyne, and fluoroethene (H2CCHF). For ethene, a comparison is made with results from a Pipek-Mezey localization. The calculations show that a chemically intuitive decomposition of the calculated properties is possible with the help of the LMO contributions and that the polarizability contributions in similar molecules are approximately transferable.

  5. Symposium on Parallel Computational Methods for Large-scale Structural Analysis and Design, 2nd, Norfolk, VA, US

    NASA Technical Reports Server (NTRS)

    Storaasli, Olaf O. (Editor); Housner, Jerrold M. (Editor)

    1993-01-01

    Computing speed is leaping forward by several orders of magnitude each decade. Engineers and scientists gathered at a NASA Langley symposium to discuss these exciting trends as they apply to parallel computational methods for large-scale structural analysis and design. Among the topics discussed were: large-scale static analysis; dynamic, transient, and thermal analysis; domain decomposition (substructuring); and nonlinear and numerical methods.

  6. Space Ops 2002: Bringing Space Operations into the 21st Century. Track 3: Operations, Mission Planning and Control. 2nd Generation Reusable Launch Vehicle-Concepts for Flight Operations

    NASA Technical Reports Server (NTRS)

    Hagopian, Jeff

    2002-01-01

    With the successful implementation of the International Space Station (ISS), the National Aeronautics and Space Administration (NASA) enters a new era of opportunity for scientific research. The ISS provides a working laboratory in space, with tremendous capabilities for scientific research. Utilization of these capabilities requires a launch system capable of routinely transporting crew and logistics to/from the ISS, as well as supporting ISS assembly and maintenance tasks. The Space Shuttle serves as NASA's launch system for performing these functions. The Space Shuttle also serves as NASA's launch system for supporting other science and servicing missions that require a human presence in space. The Space Shuttle provides proof that reusable launch vehicles are technically and physically implementable. However, a couple of problems faced by NASA are the prohibitive cost of operating and maintaining the Space Shuttle and its relative inability to support high launch rates. The 2nd Generation Reusable Launch Vehicle (2nd Gen RLV) is NASA's solution to this problem. The 2nd Gen RLV will provide a robust launch system with increased safety, improved reliability and performance, and less cost. The improved performance and reduced costs of the 2nd Gen RLV will free up resources currently spent on launch services. These resource savings can then be applied to scientific research, which in turn can be supported by the higher launch rate capability of the 2nd Gen RLV. The result is a win - win situation for science and NASA. While meeting NASA's needs, the 2nd Gen RLV also provides the United States aerospace industry with a commercially viable launch capability. One of the keys to achieving the goals of the 2nd Gen RLV is to develop and implement new technologies and processes in the area of flight operations. NASA's experience in operating the Space Shuttle and the ISS has brought to light several areas where automation can be used to augment or eliminate functions

  7. 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.

  8. 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. PMID:26172698

  9. Statistical anisotropy of the curvature perturbation from vector field perturbations

    SciTech Connect

    Dimopoulos, Konstantinos; Karciauskas, Mindaugas; Lyth, David H.; Rodriguez, Yeinzon E-mail: m.karciauskas@lancaster.ac.uk E-mail: yeinzon.rodriguez@uan.edu.co

    2009-05-15

    The {delta}N formula for the primordial curvature perturbation {zeta} is extended to include vector as well as scalar fields. Formulas for the tree-level contributions to the spectrum and bispectrum of {zeta} are given, exhibiting statistical anisotropy. The one-loop contribution to the spectrum of {zeta} is also worked out. We then consider the generation of vector field perturbations from the vacuum, including the longitudinal component that will be present if there is no gauge invariance. Finally, the {delta}N formula is applied to the vector curvaton and vector inflation models with the tensor perturbation also evaluated in the latter case.

  10. 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

  11. [Modalities of use of ceritinib (Zykadia™), a 2nd generation ALK inhibitor, in advanced stage non-small cell lung cancer].

    PubMed

    Giroux Leprieur, Etienne; Fallet, Vincent; Wislez, Marie

    2015-12-01

    Around 4% of advanced non-small cell lung cancers (NSCLC) harbor a ALK rearrangement, with high sensitivity to ALK inhibitor as crizotinib. However, the vast majority of these tumors end with a tumor progression after several months of treatment with crizotinib. Ceritinib is a 2nd generation ALK inhibitor, which showed high efficiency in NSCLC with ALK rearrangement. Results from phase I trial showed a response rate at 58% in these tumors, with a similar rate for previously crizotinib-treated patients or crizotinib-naïve patients. Moreover, cerebral responses were observed with ceritinib. Preliminary date from a phase 2 trial confirmed these results. These promising results allowed a European marketing authorization (autorisation de mise sur le marché [AMM]) since May 2015 for the treatment of advanced NSCLC with ALK rearrangement and resistance or intolerance to crizotinib. PMID:26597476

  12. What's new with the flu? Reflections regarding the management and prevention of influenza from the 2nd New Zealand Influenza Symposium, November 2015.

    PubMed

    Charania, Nadia A; Mansoor, Osman D; Murfitt, Diana; Turner, Nikki M

    2016-01-01

    Influenza is a common respiratory viral infection. Seasonal outbreaks of influenza cause substantial morbidity and mortality that burdens healthcare services every year. The influenza virus constantly evolves by antigenic drift and occasionally by antigenic shift, making this disease particularly challenging to manage and prevent. As influenza viruses cause seasonal outbreaks and also have the ability to cause pandemics leading to widespread social and economic losses, focused discussions on improving management and prevention efforts is warranted. The Immunisation Advisory Centre (IMAC) hosted the 2nd New Zealand Influenza Symposium (NZiS) in November 2015. International and national participants discussed current issues in influenza management and prevention. Experts in the field presented data from recent studies and discussed the ecology of influenza viruses, epidemiology of influenza, methods of prevention and minimisation, and experiences from the 2015 seasonal influenza immunisation campaign. The symposium concluded that although much progress in this field has been made, many areas for future research remain. PMID:27607085

  13. Phase Relations of the CaO-SiO2-Nd2O3 System and the Implication for Rare Earths Recycling

    NASA Astrophysics Data System (ADS)

    Le, Thu Hoai; Malfliet, Annelies; Blanpain, Bart; Guo, Muxing

    2016-03-01

    CaO-SiO2-Nd2O3 slags were equilibrated at 1773 K and 1873 K (1500 °C and 1600 °C) for 24 hours in Ar, and quenched in water to determine the operative phase relations. The composition and crystallinity of the phases in equilibrium were determined by EPMA-WDS and EBSD, respectively. Based on these analyses, the liquid stability region was accurately determined, and a large part of the isothermal section of the phase diagram was constructed. Data resulting from this work can be used to generate a thermodynamic database for rare-earth oxide-containing systems and to support further investigation on separation of rare earths from metallurgical slags or other residues through high-temperature processing.

  14. Phase Relations of the CaO-SiO2-Nd2O3 System and the Implication for Rare Earths Recycling

    NASA Astrophysics Data System (ADS)

    Le, Thu Hoai; Malfliet, Annelies; Blanpain, Bart; Guo, Muxing

    2016-06-01

    CaO-SiO2-Nd2O3 slags were equilibrated at 1773 K and 1873 K (1500 °C and 1600 °C) for 24 hours in Ar, and quenched in water to determine the operative phase relations. The composition and crystallinity of the phases in equilibrium were determined by EPMA-WDS and EBSD, respectively. Based on these analyses, the liquid stability region was accurately determined, and a large part of the isothermal section of the phase diagram was constructed. Data resulting from this work can be used to generate a thermodynamic database for rare-earth oxide-containing systems and to support further investigation on separation of rare earths from metallurgical slags or other residues through high-temperature processing.

  15. Dark matter dispersion tensor in perturbation theory

    NASA Astrophysics Data System (ADS)

    Aviles, Alejandro

    2016-03-01

    We compute the dark matter velocity dispersion tensor up to third order in perturbation theory using the Lagrangian formalism, revealing growing solutions at the third and higher orders. Our results are general and can be used for any other perturbative formalism. As an application, corrections to the matter power spectrum are calculated, and we find that some of them have the same structure as those in the effective field theory of large-scale structure, with "EFT-like" coefficients that grow quadratically with the linear growth function and are further suppressed by powers of the logarithmic linear growth factor f ; other corrections present additional k dependence. Due to the velocity dispersions, there exists a free-streaming scale that suppresses the whole 1-loop power spectrum. Furthermore, we find that as a consequence of the nonlinear evolution, the free-streaming length is shifted towards larger scales, wiping out more structure than that expected in linear theory. Therefore, we argue that the formalism developed here is better suited for a perturbation treatment of warm dark matter or neutrino clustering, where the velocity dispersion effects are well known to be important. We discuss implications related to the nature of dark matter.

  16. Combining coupled cluster and perturbation theory

    NASA Astrophysics Data System (ADS)

    Nooijen, Marcel

    1999-12-01

    Single reference coupled cluster (CC) singles and doubles theory is combined with low-order perturbation theory (PT) to treat ground state electron correlation. Two variants of the general scheme are discussed that differ in the type of amplitudes that are approximated perturbatively and which are treated to infinite order. The combined CC/PT methods to include ground state correlation are merged with equation-of-motion (EOM) and similarity transformed EOM methods to describe excitation spectra of the highly correlated s-tetrazine, MnO4- and Ni(CO)4 systems. It is shown that the computationally efficient CC/PT schemes can reproduce full CCSD results even if perturbation theory by itself is a very poor approximation, as is the case for many transition metal compounds. In a second test CC/PT is applied to determine ground state equilibrium molecular structures and harmonic vibrational frequencies for a set of small molecules. Using either variant of CC/PT, full CCSD geometries are easily recovered, while vibrational frequencies can be more sensitive to details of the approximation.

  17. 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.

  18. Cosmological perturbations during radion stabilization

    NASA Astrophysics Data System (ADS)

    Ashcroft, P. R.; van de Bruck, C.; Davis, A.-C.

    2005-01-01

    We consider the evolution of cosmological perturbations during radion stabilization, which we assume to happen after a period of inflation in the early universe. Concentrating on the Randall-Sundrum brane world scenario, we find that, if matter is present both on the positive and negative tension branes, the coupling of the radion to matter fields could have significant impact on the evolution of the curvature perturbation and on the production of entropy perturbations. We investigate both the case of a long-lived and a short-lived radion and outline similarities and differences to the curvaton scenario.

  19. A Renormalisation Group Method. III. Perturbative Analysis

    NASA Astrophysics Data System (ADS)

    Bauerschmidt, Roland; Brydges, David C.; Slade, Gordon

    2015-05-01

    This paper is the third in a series devoted to the development of a rigorous renormalisation group method for lattice field theories involving boson fields, fermion fields, or both. In this paper, we motivate and present a general approach towards second-order perturbative renormalisation, and apply it to a specific supersymmetric field theory which represents the continuous-time weakly self-avoiding walk on . Our focus is on the critical dimension . The results include the derivation of the perturbative flow of the coupling constants, with accompanying estimates on the coefficients in the flow. These are essential results for subsequent application to the 4-dimensional weakly self-avoiding walk, including a proof of existence of logarithmic corrections to their critical scaling. With minor modifications, our results also apply to the 4-dimensional -component spin model.

  20. 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.