Descripción: Fil:Vásquez, A.M. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.

Descripción: A scheme for resolving average optical rotatory power of a molecule into atomic contributions, applied to hydrogen peroxide, is presented. The scheme is based on the acceleration gauge for the electric dipole, and the torque formalism. Calculations are carried out to test the reliability of the partition method. The force and torque gauges provide different numerical values for atomic contributions.

Descripción: In recent analyses of numerical simulation and solar wind dataset, the idea that the magnetic discontinuities may be related to intermittent structures that appear spontaneously in MHD turbulence has been explored in details. These studies are consistent with the hypothesis that discontinuity events founds in the solar wind might be of local origin as well, i.e. a by-product of the turbulent evolution of magnetic fluctuations. Using simulations of 2D MHD turbulence, we are exploring a possible link between tangential discontinuities and magnetic reconnection. The goal is to develop numerical algorithms that may be useful for solar wind applications. © 2011 International Astronomical Union.

Descripción: The improvement in convergence by means of accurate functional elimination in the context of the monotone Newton theorem is further analyzed and extended to discrete approximations of the Newton method. © 1995.

Descripción: In this paper we develop and analyze a family of mixed finite element methods for the numerical solution of the Stokes problem in two space dimensions. In these schemes, the pressure is interpolated on a mesh of rectangular elements, while the velocity is approximated on a triangular mesh obtained by dividing each rectangle into four triangles by its diagonals. Continuous interpolations of degrees k for the velocity and l for the pressure are considered, so the new finite elements are called cross-grid Pk Ql. A stability analysis of these approximations is provided, based on the macroelement technique of Stenberg. The lowest order P1 Q1 and P2 Q1 cases are analyzed in detail; in the first case, a global spurious pressure mode is shown to exist, so this element is unstable. In the second case, however, stability is rigorously proved. Numerical results obtained in these two cases are also presented, which confirm the existence of the spurious pressure mode for the P1 Q1 element and the stability of the P2 Q1 element. © 2010 Elsevier B.V. All rights reserved.

Descripción: An alternative approach for the calculation of the electron-positron (e-p) contribution to magnetic properties based on two-component Breit-Pauli spinors is presented. In it, the elimination of the small component scheme is applied to the inverse propagator matrix of e-p pairs. The effect of the positronic manifold is expressed as an operator acting on Breit-Pauli spinors. The operator form thus obtained sums up the relativistic correction as a geometric series and as a result a totally different behavior in the vicinity of a nucleus is obtained as compared to the one of the linear response approximation. This feature has deep influence in numerical values of the e-p contribution to the nuclear magnetic shielding of heavy atoms. Numerical calculations carried out for Kr, Xe, and I show that with this approach, the e-p contributions to this property are in good agreement with those of four-component methods. © 2009 American Institute of Physics.

Descripción: Fil:Eguia, M.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.

Descripción: The aim of this paper is to analyze a low order finite element method for a stiffened plate. The plate is modeled by Reissner-Mindlin equations and the stiffener by Timoshenko beams equations. The resulting problem is shown to be well posed. In the case of concentric stiffeners it decouples into two problems, one for the in-plane plate deformation and the other for the bending of the plate. The analysis and discretization of the first one is straightforward. The second one is shown to have a solution bounded above and below independently of the thickness of the plate. A discretization based on DL3 finite elements combined with ad-hoc elements for the stiffener is proposed. Optimal order error estimates are proved for displacements, rotations and shear stresses for the plate and the stiffener. Numerical tests are reported in order to assess the performance of the method. These numerical computations demonstrate that the error estimates are independent of the thickness, providing a numerical evidence that the method is locking-free. © EDP Sciences, SMAI, 2011.

Descripción: This paper describes a matrix formulation for the correlated hole theory within the framework of the domain-averaged model in many electron systems (atoms, molecules, condensed matter, etc.). General relationships between this quantity and one-particle reduced density matrices for any independent particle or correlated state functions are presented. This formulation turns out to be suitable for computational purposes due to the straightforward introduction of cumulants of two-particle reduced density matrices within the quantum field structure. Numerical calculations in selected simple molecular systems have been performed in order to determine preliminary correlated values for such a quantity.

Descripción: Fil:Velázquez, P.F. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.

Descripción: A recursive reformulation of Sierpinski's construction of an absolutely normal number was provided. The reformulation produced a computable absolute normal number in base 2, which was normal in any scale considered. The construction was adapted to define numbers in any other bases and distinct numbers were obtained for different bases.

Descripción: In the present work, we study the effect of translational-rotational hydrodynamic coupling on the stationary electric linear dichroism of DNA fragments. The theoretical resolution of the problem has, so far, been dealt with analytic methods valid only in the limit of low electric fields. In this work, we apply numerical methods that allow us to study the problem and also consider electric fields of arbitrary strength. We use the bent rod molecules model to describe DNA fragments with physical properties characterized by their electric charge, electric polarizability tensor, rotational diffusion tensor, and translation-rotation coupling diffusion tensor. The necessary orientational distribution function to calculate electric dichroism is obtained by solving the Fokker-Planck equation through the finite difference method. We analyze the different contributions due to electric polarizability and translational- rotational coupling to the electric dichroism. © 2011 American Institute of Physics.

Descripción: A compact tabletop plasma focus suitable for hard x-ray imaging applications is presented. The hard x-ray emission was characterized by means of an effective energy analysis, based on images obtained with a single shot. The effective energy of the radiation was estimated to be around 83 keV from radiographic images of metallic pieces. Numerical calculations, based on validated codes, are presented to give a quantitative interpretation of the experimental results. Experimental demonstration of the suitability of this device for introspective imaging of metallic pieces is also given. © 2007 American Institute of Physics.

Descripción: The fourth-rank hypermagnetizability tensor of the benzene molecule has been evaluated at the coupled Hartree-Fock level of accuracy within the conventional common-origin approach, adopting gaugeless basis sets of increasing size and flexibility. The degree of convergence of theoretical tensor components has been estimated allowing for two different coordinate systems. It is shown that a strong magnetic field perpendicular to the plane of the molecule causes a distortion of the electron charge density, which tends to concentrate in the region of the C-C bonds. This charge contraction has a dynamical origin, and can be interpreted as a feedback effect in terms of the classical Lorentz force acting on the electron current density.

Descripción: Correlation anisotropy emerges dynamically in magnetohydrodynamics (MHD), producing stronger gradients across the large-scale mean magnetic field than along it. This occurs both globally and locally, and has significant implications in space and astrophysical plasmas, including particle scattering and transport, and theories of turbulence. Properties of local correlation anisotropy are further documented here by showing through numerical experiments that the effect is intensified in more localized estimates of the mean field. The mathematical formulation of this property shows that local anisotropy mixes second-order with higher order correlations. Sensitivity of local statistical estimates to higher order correlations can be understood in connection with the stochastic coordinate system inherent in such formulations. We demonstrate this in specific cases, and illustrate the connection to higher order statistics by showing the sensitivity of local anisotropy to phase randomization, after which the global measure of anisotropy is recovered at all scales of averaging. This establishes that anisotropy of the local structure function is not a measure of anisotropy of the energy spectrum. Evidently, the local enhancement of correlation anisotropy is of substantial fundamental interest and must be understood in terms of higher order correlations, specifically fourth-order and above. © 2012. The American Astronomical Society. All rights reserved.

Descripción: The recent solar minimum with very low activity provides us a unique opportunity for validating solar wind models. During CR2077 (2008 November 20 through December 17), the number of sunspots was near the absolute minimum of solar cycle 23. For this solar rotation, we perform a multi-spacecraft validation study for the recently developed three-dimensional, two-temperature, Alfvén-wave-driven global solar wind model (a component within the Space Weather Modeling Framework). By using in situ observations from the Solar Terrestrial Relations Observatory (STEREO) A and B, Advanced Composition Explorer (ACE), and Venus Express, we compare the observed proton state (density, temperature, and velocity) and magnetic field of the heliosphere with that predicted by the model. Near the Sun, we validate the numerical model with the electron density obtained from the solar rotational tomography of Solar and Heliospheric Observatory/Large Angle and Spectrometric Coronagraph C2 data in the range of 2.4 to 6 solar radii. Electron temperature and density are determined from differential emission measure tomography (DEMT) of STEREO A and B Extreme Ultraviolet Imager data in the range of 1.035 to 1.225 solar radii. The electron density and temperature derived from the Hinode/Extreme Ultraviolet Imaging Spectrometer data are also used to compare with the DEMT as well as the model output. Moreover, for the first time, we compare ionic charge states of carbon, oxygen, silicon, and iron observed in situ with the ACE/Solar Wind Ion Composition Spectrometer with those predicted by our model. The validation results suggest that most of the model outputs for CR2077 can fit the observations very well. Based on this encouraging result, we therefore expect great improvement for the future modeling of coronal mass ejections (CMEs) and CME-driven shocks. © 2012. The American Astronomical Society. All rights reserved.

Descripción: The Centaurs are a transitional population of minor bodies of the solar system and the evolutionary link between the trans-Neptunian objects and the short period comets. The surface properties of these objects are very peculiar, because currently available data suggest that their visual surface colors divide the population into two distinctive groups, those with reddish slopes of the visual reflection spectra and those with neutral spectra. Moreover, some of them are known to posses comas produced by cometary activity. Aims. We aim to investigate possible links between the orbital dynamical history and the surface physical properties of the bodies of this population. Methods. By means of numerical integrations of the equations of motion we calculated the orbital evolution of three groups of Centaurs: the Red group, the Gray group, and the Active group. We looked for statistical differences in the timescales spent by the objects of each group at heliocentric distances below certain values that are associated with locations where certain particular physical processes occur at the surfaces. Results. We find remarkable differences when we compare the fraction of objects that penetrate below typical heliocentric distances for each group. Conclusions. Our results suggest that the observed bimodality in the distribution of surface colors of the Centaurs is caused by the different thermal reprocessing on the surface of bodies of the Red group on one side and the Active and Gray groups on the other. Centaurs of the Gray group likely had cometary activity, therefore their color distribution is similar to that of comet nuclei. © 2012 ESO.

Descripción: In this work, recent advances in numerical studies of local reconnection events in the turbulent plasmas are reviewed. Recently [1], the nonlinear dynamics of magnetic reconnection in turbulence has been investigated through high resolution numerical simulations. Both fluid (MHD and Hall MHD) and kinetic (HybridVlasov) 2D simulations reveal the presence of a large number of X-type neutral points, where magnetic reconnection locally occurs. The associated reconnection rates are distributed over a wide range of values and they depend on the local geometry of the diffusion region. This new approach to the study of magnetic reconnection has broad applications to the turbulent solar wind (SW). Strong magnetic SW discontinuities are in fact strongly related to these intermittent processes of reconnection [2, 3]. Methods employed to identify sets of possible reconnection events along a one-dimensional path through the turbulent field (emulating experimental sampling by a single detector in a highspeed flow) are here reviewed. These local reconnection/discontinuity events may be the main sites of heating and particle acceleration processes [4]. Results from hybrid-Vlasov kinetic simulations support these observations [5, 6]. In the turbulent regime, in fact, kinetic effects manifest through a deformation of the ion distribution function. These patterns of non-Maxwellian features are concentrated in space nearby regions of strong magnetic activity. These results open a new path on the study of kinetic processes such as heating, particle acceleration, and temperature anisotropy, commonly observed in astrophysics. © 2013 AIP Publishing LLC.

Descripción: We present a parametric space study of the decay of turbulence in rotating flows combining direct numerical simulations, large eddy simulations, and phenomenological theory. Several cases are considered: (1) the effect of varying the characteristic scale of the initial conditions when compared with the size of the box, to mimic "bounded" and "unbounded" flows; (2) the effect of helicity (correlation between the velocity and vorticity); (3) the effect of Rossby and Reynolds numbers; and (4) the effect of anisotropy in the initial conditions. Initial conditions include the Taylor-Green vortex, the Arn'old-Beltrami-Childress flow, and random flows with large-scale energy spectrum proportional to k4. The decay laws obtained in the simulations for the energy, helicity, and enstrophy in each case can be explained with phenomenological arguments that consider separate decays for two-dimensional and three-dimensional modes and that take into account the role of helicity and rotation in slowing down the energy decay. The time evolution of the energy spectrum and development of anisotropies in the simulations are also discussed. Finally, the effect of rotation and helicity in the skewness and kurtosis of the flow is considered. © 2011 American Institute of Physics.

Descripción: Hα observations of solar active region NOAA 10501 on 2003 November 20 revealed a very uncommon dynamic process: during the development of a nearby flare, two adjacent elongated filaments approached each other, merged at their middle sections, and separated again, thereby forming stable configurations with new footpoint connections. The observed dynamic pattern is indicative of "slingshot" reconnection between two magnetic flux ropes. We test this scenario by means of a three-dimensional zero β magnetohydrodynamic simulation, using a modified version of the coronal flux rope model by Titov and Démoulin as the initial condition for the magnetic field. To this end, a configuration is constructed that contains two flux ropes which are oriented side-by-side and are embedded in an ambient potential field. The choice of the magnetic orientation of the flux ropes and of the topology of the potential field is guided by the observations. Quasi-static boundary flows are then imposed to bring the middle sections of the flux ropes into contact. After sufficient driving, the ropes reconnect and two new flux ropes are formed, which now connect the former adjacent flux rope footpoints of opposite polarity. The corresponding evolution of filament material is modeled by calculating the positions of field line dips at all times. The dips follow the morphological evolution of the flux ropes, in qualitative agreement with the observed filaments. © 2011. The American Astronomical Society. All rights reserved. Printed in the U.S.A.