Cross-correlation between WMAP and 2MASS: non-Gaussianity induced by the SZ effect

We study the non-Gaussianity induced by the Sunyaev-Zel'dovich (SZ) effect in cosmic microwave background (CMB) fluctuation maps. If a CMB map is contaminated by the SZ effect of galaxies or galaxy clusters, the CMB maps should have similar non-Gaussian features to the galaxy and cluster fields. Using the WMAP data and 2MASS galaxy catalogue, we show that the non-Gaussianity of the 2MASS galaxies is imprinted on WMAP maps. The signature of non-Gaussianity can be seen with the fourth-order cross-correlation between the wavelet variables of the WMAP maps and 2MASS clusters. The intensity of the fourth-order non-Gaussian features is found to be consistent with the contamination of the SZ effect of 2MASS galaxies. We also show that this non-Gaussianity can not be seen by the high-order autocorrelation of the WMAP. This is because the SZ signals in the autocorrelations of the WMAP data generally are weaker than the WMAP-2MASS cross-correlations by a factor f(2), which is the ratio between the powers of the SZ-effect map and the CMB fluctuations on the scale considered. Therefore, the ratio of high-order autocorrelations of CMB maps to cross-correlations of the CMB maps and galaxy field would be effective to constrain the powers of the SZ effect on various scales.

Impact of spatial resolution and spatial difference accuracy on the performance of Arakawa A-D grids

This paper alms at illustrating the impact of spatial difference scheme and spatial resolution on the performance of Arakawa A-D grids in physical space. Linear shallow water equations are discretized and forecasted on Arakawa A-D grids for 120-minute using the ordinary second-order (M and fourth-order (C4) finite difference schemes with the grid spacing being 100 km, 10 km and I km, respectively. Then the forecasted results are compared with the exact solution, the result indicates that when the grid spacing is I kin, the inertial gravity wave can be simulated on any grid with the same results from C2 scheme or C4 scheme, namely the impact of variable configuration is neglectable; while the inertial gravity wave is simulated with lengthened grid spacing, the effects of different variable configurations are different. However, whether for C2 scheme or for C4 scheme, the RMS is minimal (maximal) on C (D) grid. At the same time it is also shown that when the difference accuracy increases from C2 scheme to C4 scheme, the resulted forecasts do not uniformly decrease, which is validated by the change of the group A velocity relative error from C2 scheme to C4 scheme. Therefore, the impact of the grid spacing is more important than that of the difference accuracy on the performance of Arakawa A-D grid.

Uniformly convergent finite element and finite difference methods for singularly perturbed ordinary differential equations

This thesis is concerned with uniformly convergent finite element and finite difference methods for numerically solving singularly perturbed two-point boundary value problems. We examine the following four problems: (i) high order problem of reaction-diffusion type; (ii) high order problem of convection-diffusion type; (iii) second order interior turning point problem; (iv) semilinear reaction-diffusion problem. Firstly, we consider high order problems of reaction-diffusion type and convection-diffusion type. Under suitable hypotheses, the coercivity of the associated bilinear forms is proved and representation results for the solutions of such problems are given. It is shown that, on an equidistant mesh, polynomial schemes cannot achieve a high order of convergence which is uniform in the perturbation parameter. Piecewise polynomial Galerkin finite element methods are then constructed on a Shishkin mesh. High order convergence results, which are uniform in the perturbation parameter, are obtained in various norms. Secondly, we investigate linear second order problems with interior turning points. Piecewise linear Galerkin finite element methods are generated on various piecewise equidistant meshes designed for such problems. These methods are shown to be convergent, uniformly in the singular perturbation parameter, in a weighted energy norm and the usual L2 norm. Finally, we deal with a semilinear reaction-diffusion problem. Asymptotic properties of solutions to this problem are discussed and analysed. Two simple finite difference schemes on Shishkin meshes are applied to the problem. They are proved to be uniformly convergent of second order and fourth order respectively. Existence and uniqueness of a solution to both schemes are investigated. Numerical results for the above methods are presented.

Generation and control of ultrafast pulse trains for quasi-phase-matching high-harmonic generation

Two techniques are demonstrated to produce ultrashort pulse trains capable of quasi-phase-matching high-harmonic generation. The first technique makes use of an array of birefringent crystals and is shown to generate high-contrast pulse trains with constant pulse spacing. The second technique employs a grating-pair stretcher, a multiple-order wave plate, and a linear polarizer. Trains of up to 100 pulses are demonstrated with this technique, with almost constant inter-pulse separation. It is shown that arbitrary pulse separation can be achieved by introducing the appropriate dispersion. This principle is demonstrated by using an acousto-optic programmable dispersive filter to introduce third-and fourth-order dispersions leading to a linear and quadratic variation of the separation of pulses through the train. Chirped-pulse trains of this type may be used to quasi-phase-match high-harmonic generation in situations where the coherence length varies through the medium. (C) 2010 Optical Society of America

A LEED STRUCTURAL STUDY OF THE CO INDUCED RECONSTRUCTION OF PD(110) - EVIDENCE FOR A MISSING ROW STRUCTURE

Molecularly adsorbed CO on Pd{110} has been shown (R. Raval et al., Chem. Phys. Lett. 167 (1990) 391, ref. [1]) to induce a substantial reconstruction of the surface in the coverage range 0.3 <theta less-than-or-equal-to 0.75. Throughout this coverage range, the adsorbate-covered reconstructed surface exhibits a (4 x 2) LEED pattern. However, the exact nature of the reconstruction remains uncertain. We have conducted a LEED I(E) "fingerprinting" analysis of the CO/Pd{110}-(4 x 2) structure in order to establish the type of reconstruction induced in the metal surface. This study shows that the LEED I(E) profiles of the integral order and appropriate half-order beams of the CO/Pd{110}-(4 x 2) pattern closely resemble the I(E) profiles theoretically calculated for a Pd{110}-(1 x 2) missing-row structure. Additionally, there is a strong resemblance to the experimental LEED I(E) profiles for the Cs/Pd{110}-(1 x 2) structure which has also been shown to exhibit the missing-row structure. On the basis of this evidence we conclude that the CO/Pd{110}-(4 x 2) LEED pattern arises from a missing-row reconstruction of the Pd{110} surface which gives rise to a strong underlying (1 x 2) pattern plus a poorly ordered CO overlayer which produces weak, diffuse fourth-order spots in the LEED pattern.

Profiling of T-cell receptor signaling complex assembly in human CD4 T-lymphocytes using RP protein arrays.

The RP protein (RPP) array approach immobilizes minute amounts of cell lysates or tissue protein extracts as distinct microspots on NC-coated slide. Subsequent detection with specific antibodies allows multiplexed quantification of proteins and their modifications at a scale that is beyond what traditional techniques can achieve. Cellular functions are the result of the coordinated action of signaling proteins assembled in macromolecular complexes. These signaling complexes are highly dynamic structures that change their composition with time and space to adapt to cell environment. Their comprehensive analysis requires until now relatively large amounts of cells (>5 x 10(7)) due to their low abundance and breakdown during isolation procedure. In this study, we combined small scale affinity capture of the T-cell receptor (TCR) and RPP arrays to follow TCR signaling complex assembly in human ex vivo isolated CD4 T-cells. Using this strategy, we report specific recruitment of signaling components to the TCR complex upon T-cell activation in as few as 0.5 million of cells. Second- to fourth-order TCR interacting proteins were accurately quantified, making this strategy specially well-suited to the analysis of membrane-associated signaling complexes in limited amounts of cells or tissues, e.g., ex vivo isolated cells or clinical specimens.

Phonon spectra and thermodynamic properties of rare gas solids based on empirical and semi-empirical (ab initio) two-body potentials : a comparative study /

We study the phonon dispersion, cohesive and thermal properties of raxe gas solids Ne, Ar, Kr, and Xe, using a variety of potentials obtained from different approaches; such as, fitting to crystal properties, purely ab initio calculations for molecules and dimers or ab initio calculations for solid crystalline phase, a combination of ab initio calculations and fitting to either gas phase data or sohd state properties. We explore whether potentials derived with a certain approaxih have any obvious benefit over the others in reproducing the solid state properties. In particular, we study phonon dispersion, isothermal ajid adiabatic bulk moduli, thermal expansion, and elastic (shear) constants as a function of temperatiue. Anharmonic effects on thermal expansion, specific heat, and bulk moduli have been studied using A^ perturbation theory in the high temperature limit using the neaxest-neighbor central force (nncf) model as developed by Shukla and MacDonald [4]. In our study, we find that potentials based on fitting to the crystal properties have some advantage, particularly for Kr and Xe, in terms of reproducing the thermodynamic properties over an extended range of temperatiures, but agreement with the phonon frequencies with the measured values is not guaranteed. For the lighter element Ne, the LJ potential which is based on fitting to the gas phase data produces best results for the thermodynamic properties; however, the Eggenberger potential for Ne, where the potential is based on combining ab initio quantum chemical calculations and molecular dynamics simulations, produces results that have better agreement with the measured dispersion, and elastic (shear) values. For At, the Morse-type potential, which is based on M0ller-Plesset perturbation theory to fourth order (MP4) ab initio calculations, yields the best results for the thermodynamic properties, elastic (shear) constants, and the phonon dispersion curves.

Systematic construction of models for the exchange hole of density functional theory.

Dans ce travail, nous étendons le nombre de conditions physiques actuellement con- nues du trou d’échange exact avec la dérivation de l’expansion de quatrième ordre du trou d’échange sphérique moyenne exacte. Nous comparons les expansions de deux- ième et de quatrième ordre avec le trou d’échange exact pour des systèmes atomiques et moléculaires. Nous avons constaté que, en général, l’expansion du quatrième ordre reproduit plus fidèlement le trou d’échange exact pour les petites valeurs de la distance interélectronique. Nous démontrons que les ensembles de base de type gaussiennes ont une influence significative sur les termes de cette nouvelle condition, en étudiant com- ment les oscillations causées par ces ensembles de bases affectent son premier terme. Aussi, nous proposons quatre modèles de trous d’échange analytiques auxquels nous imposons toutes les conditions actuellement connues du trou d’échange exact et la nou- velle présentée dans ce travail. Nous évaluons la performance des modèles en calculant des énergies d’échange et ses contributions à des énergies d’atomisation. On constate que les oscillations causeés par les bases de type gaussiennes peuvent compromettre la précision et la solution des modèles.

Orthogonal polynomials and recurrence equations, operator equations and factorization

This article surveys the classical orthogonal polynomial systems of the Hahn class, which are solutions of second-order differential, difference or q-difference equations. Orthogonal families satisfy three-term recurrence equations. Example applications of an algorithm to determine whether a three-term recurrence equation has solutions in the Hahn class - implemented in the computer algebra system Maple - are given. Modifications of these families, in particular associated orthogonal systems, satisfy fourth-order operator equations. A factorization of these equations leads to a solution basis.

Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization

To obtain a state-of-the-art benchmark potential energy surface (PES) for the archetypal oxidative addition of the methane C-H bond to the palladium atom, we have explored this PES using a hierarchical series of ab initio methods (Hartree-Fock, second-order Møller-Plesset perturbation theory, fourth-order Møller-Plesset perturbation theory with single, double and quadruple excitations, coupled cluster theory with single and double excitations (CCSD), and with triple excitations treated perturbatively [CCSD(T)]) and hybrid density functional theory using the B3LYP functional, in combination with a hierarchical series of ten Gaussian-type basis sets, up to g polarization. Relativistic effects are taken into account either through a relativistic effective core potential for palladium or through a full four-component all-electron approach. Counterpoise corrected relative energies of stationary points are converged to within 0.1-0.2 kcal/mol as a function of the basis-set size. Our best estimate of kinetic and thermodynamic parameters is -8.1 (-8.3) kcal/mol for the formation of the reactant complex, 5.8 (3.1) kcal/mol for the activation energy relative to the separate reactants, and 0.8 (-1.2) kcal/mol for the reaction energy (zero-point vibrational energy-corrected values in parentheses). This agrees well with available experimental data. Our work highlights the importance of sufficient higher angular momentum polarization functions, f and g, for correctly describing metal-d-electron correlation and, thus, for obtaining reliable relative energies. We show that standard basis sets, such as LANL2DZ+ 1f for palladium, are not sufficiently polarized for this purpose and lead to erroneous CCSD(T) results. B3LYP is associated with smaller basis set superposition errors and shows faster convergence with basis-set size but yields relative energies (in particular, a reaction barrier) that are ca. 3.5 kcal/mol higher than the corresponding CCSD(T) values

Subspace system identification framework for the analysis of multimoded propagation of THz-transient signals

We provide a system identification framework for the analysis of THz-transient data. The subspace identification algorithm for both deterministic and stochastic systems is used to model the time-domain responses of structures under broadband excitation. Structures with additional time delays can be modelled within the state-space framework using additional state variables. We compare the numerical stability of the commonly used least-squares ARX models to that of the subspace N4SID algorithm by using examples of fourth-order and eighth-order systems under pulse and chirp excitation conditions. These models correspond to structures having two and four modes simultaneously propagating respectively. We show that chirp excitation combined with the subspace identification algorithm can provide a better identification of the underlying mode dynamics than the ARX model does as the complexity of the system increases. The use of an identified state-space model for mode demixing, upon transformation to a decoupled realization form is illustrated. Applications of state-space models and the N4SID algorithm to THz transient spectroscopy as well as to optical systems are highlighted.

Could the cosmic acceleration be transient? A cosmographic evaluation

A possible slowing down of the cosmic expansion is investigated through a cosmographic approach. By expanding the luminosity distance to fourth order and fitting the SN Ia data from the most recent compilations (Union, Constitution and Union 2), the marginal likelihood distributions for the deceleration parameter today suggest a recent reduction of the cosmic acceleration and indicate that there is a considerable probability for q(0) > 0. Also in contrast to the prediction of the Lambda CDM model, the cosmographic q(z) reconstruction permits a cosmic expansion history where the cosmic acceleration could already have peaked and be presently slowing down, which would imply that the recent accelerated expansion of the universe is a transient phenomenon. It is also shown that to describe a transient acceleration the luminosity distance needs to be expanded at least to fourth order. The present cosmographic results depend neither on the validity of general relativity nor on the matter-energy contents of the universe.

Numerical solution of the PTT constitutive equation for unsteady three-dimensional free surface flows

This work deals with the development of a numerical technique for simulating three-dimensional viscoelastic free surface flows using the PTT (Phan-Thien-Tanner) nonlinear constitutive equation. In particular, we are interested in flows possessing moving free surfaces. The equations describing the numerical technique are solved by the finite difference method on a staggered grid. The fluid is modelled by a Marker-and-Cell type method and an accurate representation of the fluid surface is employed. The full free surface stress conditions are considered. The PTT equation is solved by a high order method, which requires the calculation of the extra-stress tensor on the mesh contours. To validate the numerical technique developed in this work flow predictions for fully developed pipe flow are compared with an analytic solution from the literature. Then, results of complex free surface flows using the FIT equation such as the transient extrudate swell problem and a jet flowing onto a rigid plate are presented. An investigation of the effects of the parameters epsilon and xi on the extrudate swell and jet buckling problems is reported. (C) 2010 Elsevier B.V. All rights reserved.

Morfometria de microbacias do Córrego Rico, afluente do Rio Mogi-Guaçu, Estado de São Paulo, Brasil

Este trabalho teve como objetivo avaliar as características morfométricas das microbacias (2ª, 3ª, 4ª e 5ª ordens de magnitude) da bacia hidrográfica do córrego Rico, sub-bacia do Rio Mogi-Guaçu, localizada na região administrativa de Ribeirão Preto, Estado de São Paulo, Brasil. Para tanto, foram determinados os parâmetros físicos e a configuração topográfica natural do sistema de drenagem. Os procedimentos para a obtenção dos dados foram fundamentados em técnicas de sensoriamento remoto e geoprocessamento. A partir da vetorização das cartas topográficas correspondentes à área de estudo, realizou-se a análise morfométrica quanto às características dimensionais, do padrão de drenagem e do relevo no sistema de informação geográfica ArcView. A microbacia é considerada de sexta ordem de magnitude, com área estimada de 542 km², com 85 microbacias de segunda ordem, 22 de terceira, sete de quarta ordem e duas de quinta. Utilizando o critério geométrico, na disposição fluvial das sub-bacias de cabeceiras observou-se a predominância dos modelos dendríticos e subdendríticos, enquanto a jusante predominava o modelo subparalelo, respectivamente, nas áreas de ocorrências dos arenitos Bauru e rochas efusivas básicas.

Parametric correlation functions to model the structure of permanent environmental (co)variances in milk yield random regression models

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)