Fast assembly of fock matrices utilising symmetry properties of the basis set

A method of assembling the elements of the Fock matrix is described which is a modification of that due to Dacre. Lists of symmetry equivalent one-electron integrals are used as pointers to abbreviate the process of collecting two-electron integrals into the Fock matrix.

Analytical and Experimental Investigation of an Ammonia/Air Opposed Reacting Jet

The point-by-point properties of an ammonia/air opposed-reacting-jet flowfield are described by solving the governing partial differential elliptic equations. Analytical descriptions of the reacting flowfield are compared to experimentally measured profiles of temperature and composition. Calculated distributions of stream function, temperature and fuel mole fraction are also presented. © 1972, Taylor & Francis Group, LLC. All rights reserved.

A new construction of Calabi–Yau manifolds: Generalized CICYs

We present a generalization of the complete intersection in products of projective space (CICY) construction of Calabi–Yau manifolds. CICY three-folds and four-folds have been studied extensively in the physics literature. Their utility stems from the fact that they can be simply described in terms of a ‘configuration matrix’, a matrix of integers from which many of the details of the geometries can be easily extracted. The generalization we present is to allow negative integers in the configuration matrices which were previously taken to have positive semi-definite entries. This broadening of the complete intersection construction leads to a larger class of Calabi–Yau manifolds than that considered in previous work, which nevertheless enjoys much of the same degree of calculational control. These new Calabi–Yau manifolds are complete intersections in (not necessarily Fano) ambient spaces with an effective anticanonical class. We find examples with topology distinct from any that has appeared in the literature to date. The new manifolds thus obtained have many interesting features. For example, they can have smaller Hodge numbers than ordinary CICYs and lead to many examples with elliptic and K3-fibration structures relevant to F-theory and string dualities.

Dispersive estimates for the Schrödinger equation

In this document we explore the issue of $L^1\to L^\infty$ estimates for the solution operator of the linear Schr\"{o}dinger equation, \begin{align*} iu_t-\Delta u+Vu&=0 &u(x,0)=f(x)\in \mathcal S(\R^n). \end{align*} We focus particularly on the five and seven dimensional cases. We prove that the solution operator precomposed with projection onto the absolutely continuous spectrum of $H=-\Delta+V$ satisfies the following estimate $\|e^{itH} P_{ac}(H)\|_{L^1\to L^\infty} \lesssim |t|^{-\frac{n}{2}}$ under certain conditions on the potential $V$. Specifically, we prove the dispersive estimate is satisfied with optimal assumptions on smoothness, that is $V\in C^{\frac{n-3}{2}}(\R^n)$ for $n=5,7$ assuming that zero is regular, $|V(x)|\lesssim \langle x\rangle^{-\beta}$ and $|\nabla^j V(x)|\lesssim \langle x\rangle^{-\alpha}$, $1\leq j\leq \frac{n-3}{2}$ for some $\beta>\frac{3n+5}{2}$ and $\alpha>3,8$ in dimensions five and seven respectively. We also show that for the five dimensional result one only needs that $|V(x)|\lesssim \langle x\rangle^{-4-}$ in addition to the assumptions on the derivative and regularity of the potential. This more than cuts in half the required decay rate in the first chapter. Finally we consider a problem involving the non-linear Schr\"{o}dinger equation. In particular, we consider the following equation that arises in fiber optic communication systems, \begin{align*} iu_t+d(t) u_{xx}+|u|^2 u=0. \end{align*} We can reduce this to a non-linear, non-local eigenvalue equation that describes the so-called dispersion management solitons. We prove that the dispersion management solitons decay exponentially in $x$ and in the Fourier transform of $x$.

A direct determination of the World Ocean barotropic circulation

The time-mean Argo float displacements and the World Ocean Atlas 2009 temperature–salinity climatology are used to obtain the total, top to bottom, mass transports. Outside of an equatorial band, the total transports are the sum of the vertical integrals of geostrophic- and wind-driven Ekman currents. However, these transports are generally divergent, and to obtain a mass conserving circulation, a Poisson equation is solved for the streamfunction with Dirichlet boundary conditions at solid boundaries. The value of the streamfunction on islands is also part of the unknowns. This study presents and discusses an energetic circulation in three basins: the North Atlantic, the North Pacific, and the Southern Ocean. This global method leads to new estimations of the time-mean western Eulerian boundary current transports maxima of 97 Sverdrups (Sv; 1 Sv ≡ 106 m3 s−1) at 60°W for the Gulf Stream, 84 Sv at 157°E for the Kuroshio, 80 Sv for the Agulhas Current between 32° and 36°S, and finally 175 Sv for the Antarctic Circumpolar Current at Drake Passage. Although the large-scale structure and boundary of the interior gyres is well predicted by the Sverdrup relation, the transports derived from the wind stress curl are lower than the observed transports in the interior by roughly a factor of 2, suggesting an important contribution of the bottom torques. With additional Argo displacement data, the errors caused by the presence of remaining transient terms at the 1000-db reference level will continue to decrease, allowing this method to produce increasingly accurate results in the future.

Discrete breathers in a two-dimensional hexagonal Fermi-Pasta-Ulam lattice

We consider a two-dimensional Fermi-Pasta-Ulam (FPU) lattice with hexagonal symmetry. Using asymptotic methods based on small amplitude ansatz, at third order we obtain a eduction to a cubic nonlinear Schr{\"o}dinger equation (NLS) for the breather envelope. However, this does not support stable soliton solutions, so we pursue a higher-order analysis yielding a generalised NLS, which includes known stabilising terms. We present numerical results which suggest that long-lived stationary and moving breathers are supported by the lattice. We find breather solutions which move in an arbitrary direction, an ellipticity criterion for the wavenumbers of the carrier wave, symptotic estimates for the breather energy, and a minimum threshold energy below which breathers cannot be found. This energy threshold is maximised for stationary breathers, and becomes vanishingly small near the boundary of the elliptic domain where breathers attain a maximum speed. Several of the results obtained are similar to those obtained for the square FPU lattice (Butt \& Wattis, {\em J Phys A}, {\bf 39}, 4955, (2006)), though we find that the square and hexagonal lattices exhibit different properties in regard to the generation of harmonics, and the isotropy of the generalised NLS equation.

Chemotaxonomic studies on Schwenckia americana LINN.

This study investigated the chemotaxonomic studies on Schwenckia americana Linn., a member of the family Solanaceae predominantly found mostly in low grass fields, Nigeria. The habit is annual herbaceous weed with slender stem characterized with free branching and growing up to 45cm in height.They are used mainly as medicine. The leaves are simple, entire, elliptic to ovate in shape, smooth, variable, petiolate and larger at the lower region of stem and narrowing to smaller almost sessile and oblanceolate towards the apical regions which are alternately arranged and acrescently structured from the top to the base upto 3.7 ± 1.5cm long and 2.4±0.6cm wide. The inflorescence is a panicle of 15 or more flowers occurring at stem terminal.The flowers are whitish tubular structures measuring up to 1.0±0.2cm in length and 0.1cm in diameter. The petals are whitish up to 0.9 ±0.2cm in length and sepals are greenish up to 0.1cm in length. The berry fruit is greenish when unripe and pale yellowish when ripe up to 0.3±0.1cm in diameter. The seeds are blackish and spherical or triangular shaped with rough edges measuring up to 0.1cm in diameter. The epidermal studies reveal anomocytic stomata whereas the trichomes are simple uniseriate forms wth bulge heads. The anatomy of mid-ribs and petioles showed bicollateral vascular systems. There are three vascular traces and the node is unilacunar. The petioles have 2 rib traces at primary growth phase. At secondary growth phase, the mid-rib and petiole revealed vascular arcs and the stem has a ring of open vascular system. The cytological studies showed a diploid chromosome number of 2n = 24 and n = 12 for the haploids. Alkaloids, saponins, tannins, phlobatannins, flavonoids, combined anthraquinones, free anthraquinones and cardiac glycosides are present.

On the suboptimality of the p-version interior penalty discontinuous Galerkin method

We address the question of the rates of convergence of the p-version interior penalty discontinuous Galerkin method (p-IPDG) for second order elliptic problems with non-homogeneous Dirichlet boundary conditions. It is known that the p-IPDG method admits slightly suboptimal a-priori bounds with respect to the polynomial degree (in the Hilbertian Sobolev space setting). An example for which the suboptimal rate of convergence with respect to the polynomial degree is both proven theoretically and validated in practice through numerical experiments is presented. Moreover, the performance of p- IPDG on the related problem of p-approximation of corner singularities is assessed both theoretically and numerically, witnessing an almost doubling of the convergence rate of the p-IPDG method.

A class of domain decomposition preconditioners for hp-discontinuous Galerkin finite element methods

In this article we address the question of efficiently solving the algebraic linear system of equations arising from the discretization of a symmetric, elliptic boundary value problem using hp-version discontinuous Galerkin finite element methods. In particular, we introduce a class of domain decomposition preconditioners based on the Schwarz framework, and prove bounds on the condition number of the resulting iteration operators. Numerical results confirming the theoretical estimates are also presented.

Neural fields with sigmoidal firing rates: approximate solutions

Many tissue level models of neural networks are written in the language of nonlinear integro-differential equations. Analytical solutions have only been obtained for the special case that the nonlinearity is a Heaviside function. Thus the pursuit of even approximate solutions to such models is of interest to the broad mathematical neuroscience community. Here we develop one such scheme, for stationary and travelling wave solutions, that can deal with a certain class of smoothed Heaviside functions. The distribution that smoothes the Heaviside is viewed as a fundamental object, and all expressions describing the scheme are constructed in terms of integrals over this distribution. The comparison of our scheme and results from direct numerical simulations is used to highlight the very good levels of approximation that can be achieved by iterating the process only a small number of times.

Síntese e caracterização de cerâmicas nanométricas para produção de gás de síntese

In this work, ceramic powders belonging to the system Nd2-xSrxNiO4 (x = 0, 0.4, 0.8, 1.2 and 1.6) were synthesized for their use as catalysts to syngas production partial. It was used a synthesis route, relatively new, which makes use of gelatin as organic precursor. The powders were analyzed at several temperatures in order to obtain the perovskite phase and characterized by several techniques such as thermal analysis, X-rays diffraction, Rietveld refinement method, specific surface area, scanning electron microscopy, energy dispersive spectroscopy of X-rays and temperature programmed reduction. The results obtained using these techniques confirmed the feasibility of the synthesis method employed to obtain nanosized particles. The powders were tested in differential catalytic conditions for dry reforming of methane (DRM) and partial oxidation of methane (POM), then, some systems were chosen for catalytic integrals test for (POM) indicating that the system Nd2-xSrxNiO4 for x = 0, 0.4 and 1.2 calcined at 900 °C exhibit catalytic activity on the investigated experimental conditions in this work without showing signs of deactivation

Stochastic and infinite dimensional analysis

This volume presents a collection of papers covering applications from a wide range of systems with infinitely many degrees of freedom studied using techniques from stochastic and infinite dimensional analysis, e.g. Feynman path integrals, the statistical mechanics of polymer chains, complex networks, and quantum field theory. Systems of infinitely many degrees of freedom create their particular mathematical challenges which have been addressed by different mathematical theories, namely in the theories of stochastic processes, Malliavin calculus, and especially white noise analysis. These proceedings are inspired by a conference held on the occasion of Prof. Ludwig Streit’s 75th birthday and celebrate his pioneering and ongoing work in these fields.

Single-Polarization Double Refraction in Plasmonic Crystals: Considerations on Energy Flow

We examined the optical properties of nanolayered metal-dielectric lattices. At subwavelength regimes, the periodic array of metallic nanofilms demonstrates nonlocality-induced double refraction, conventional positive and as well as negative. In particular, we report on energy-flow considerations concerning both refractive behaviors concurrently. Numerical simulations provide transmittance of individual beams in Ag-TiO2 metamaterials under different configurations. In regimes of the effective-medium theory predicting elliptic dispersion, negative refraction may be stronger than the expected positive refraction.

La distribution des zéros des fonctions L

Selon la philosophie de Katz et Sarnak, la distribution des zéros des fonctions $L$ est prédite par le comportement des valeurs propres de matrices aléatoires. En particulier, le comportement des zéros près du point central révèle le type de symétrie de la famille de fonctions $L$. Une fois la symétrie identifiée, la philosophie de Katz et Sarnak conjecture que plusieurs statistiques associées aux zéros seront modélisées par les valeurs propres de matrices aléatoires du groupe correspondant. Ce mémoire étudiera la distribution des zéros près du point central de la famille des courbes elliptiques sur $\mathbb{Q}[i]$. Brumer a effectué ces calculs en 1992 sur la famille de courbes elliptiques sur $\mathbb{Q}$. Les nouvelles problématiques reliées à la généralisation de ses travaux vers un corps de nombres seront mises en évidence

La distribution des zéros des fonctions L

Selon la philosophie de Katz et Sarnak, la distribution des zéros des fonctions $L$ est prédite par le comportement des valeurs propres de matrices aléatoires. En particulier, le comportement des zéros près du point central révèle le type de symétrie de la famille de fonctions $L$. Une fois la symétrie identifiée, la philosophie de Katz et Sarnak conjecture que plusieurs statistiques associées aux zéros seront modélisées par les valeurs propres de matrices aléatoires du groupe correspondant. Ce mémoire étudiera la distribution des zéros près du point central de la famille des courbes elliptiques sur $\mathbb{Q}[i]$. Brumer a effectué ces calculs en 1992 sur la famille de courbes elliptiques sur $\mathbb{Q}$. Les nouvelles problématiques reliées à la généralisation de ses travaux vers un corps de nombres seront mises en évidence