Ixaru's Extended Frequency Dependent Quadrature Rules for Slater Integrals: Parallel Computation Issues

We describe recent progress of an ongoing research programme aimed at producing computational science software that can exploit high performance architectures in the atomic physics application domain. We examine the computational bottleneck of matrix construction in a suite of two-dimensional R-matrix propagation programs, 2DRMP, that are aimed at creating virtual electron collision experiments on HPC architectures. We build on Ixaru's extended frequency dependent quadrature rules (EFDQR) for Slater integrals and examine the challenge of constructing Hamiltonian matrices in parallel across an m-processor compute node in a block cyclic distribution for subsequent diagonalization by ScaLAPACK.

Multidimensional modelling of X-ray spectra for AGN accretion disc outflows - II

Highly ionized fast accretion disc winds have been suggested as an explanation for a variety of observed absorption and emission features in the X-ray spectra of active galactic nuclei. Simple estimates have suggested that these flows may be massive enough to carry away a significant fraction of the accretion energy and could be involved in creating the link between supermassive black holes and their host galaxies. However, testing these hypotheses, and quantifying the outflow signatures, requires high-quality theoretical spectra for comparison with observations. Here, we describe extensions of our Monte Carlo radiative transfer code that allow us to generate realistic theoretical spectra for a much wider variety of disc wind models than that was possible in our previous work. In particular, we have expanded the range of atomic physics simulated by the code so that L- and M-shell ions can now be included. We have also substantially improved our treatment of both ionization and radiative heating such that we are now able to compute spectra for outflows containing far more diverse plasma conditions. We present example calculations that illustrate the variety of spectral features predicted by parametrized outflow models and demonstrate their applicability to the interpretation of data by comparison with observations of the bright quasar PG1211+143. We find that the major features in the observed 2-10 keV spectrum of this object can be well reproduced by our spectra, confirming that it likely hosts a massive outflow. © 2010 The Authors. Journal compilation © 2010 RAS.

Laboratory measurements of resistivity in warm dense plasmas relevant to the microphysics of brown dwarfs

Since the observation of the first brown dwarf in 1995, numerous studies have led to a better understanding of the structures of these objects. Here we present a method for studying material resistivity in warm dense plasmas in the laboratory, which we relate to the microphysics of brown dwarfs through viscosity and electron collisions. Here we use X-ray polarimetry to determine the resistivity of a sulphur-doped plastic target heated to Brown Dwarf conditions by an ultra-intense laser. The resistivity is determined by matching the plasma physics model to the atomic physics calculations of the measured large, positive, polarization. The inferred resistivity is larger than predicted using standard resistivity models, suggesting that these commonly used models will not adequately describe the resistivity of warm dense plasma related to the viscosity of brown dwarfs.

Electron-Impact Uncertainty Analysis and its Impact on Certain Temperature Diagnostics

In this study we calculate the electron-impact uncertainties in atomic data for direct ionization and recombination and investigate the role of these uncertainties on spectral diagnostics. We outline a systematic approach to assigning meaningful uncertainties that vary with electron temperature. Once these uncertainty parameters have been evaluated, we can then calculate the uncertainties on key diagnostics through a Monte Carlo routine, using the Astrophysical Emission Code (APEC) [Smith et al. 2001]. We incorporate these uncertainties into well known temperature diagnostics, such as the Lyman alpha versus resonance line ratio and the G ratio. We compare these calculations to a study performed by [Testa et al. 2004], where significant discrepancies in the two diagnostic ratios were observed. We conclude that while the atomic physics uncertainties play a noticeable role in the discrepancies observed by Testa, they do not explain all of them. This indicates that there is another physical process occurring in the system that is not being taken into account. This work is supported in part by the National Science Foundation REU and Department of Defense ASSURE programs under NSF Grant no. 1262851 and by the Smithsonian Institution.

Electron-impact ionization of the metastable excited states of Li +

Electron-impact ionization cross sections for the 1s2s 1S and 1s2s 3S metastable states of Li+ are calculated using both perturbative distorted-wave and non-perturbative close-coupling methods. Term-resolved distorted-wave calculations are found to be approximately 15% above term-resolved R-matrix with pseudostates calculations. On the other hand, configuration-average time-dependent close-coupling calculations are found to be in excellent agreement with the configuration-average R-matrix with pseudostates calculations. The non-perturbative R-matrix and close-coupling calculations provide a benchmark for experimental studies of electron-impact ionization of metastable states along the He isoelectronic sequence.

Ultraviolet emission lines of Si II in cool star and solar spectra

Recent atomic physics calculations for Si II are employed within the CLOUDY modelling code to analyse Hubble Space Telescope (HST) STIS ultraviolet spectra of three cool stars, β Geminorum, α Centauri A and B, as well as previously published HST/GHRS observations of α Tau, plus solar quiet Sun data from the High Resolution Telescope and Spectrograph. Discrepancies found previously between theory and observation for line intensity ratios involving the 3s²3p ²PJ-3s3p^{2 4}P^J' intercombination multiplet of Si II at ~ 2335 Å are significantly reduced, as are those for ratios containing the 3s²3p ²PJ-3s3p^{2 2}DJ ~ transitions at ~1816 Å. This is primarily due to the effect of the new Si II transition probabilities. However, these atomic data are not only very different from previous calculations, but also show large disagreements with measurements, specifically those of Calamai et al. for the intercombination lines. New measurements of transition probabilities for Si II are hence urgently required to confirm (or otherwise) the accuracy of the recently calculated values. If the new calculations are confirmed, then a long-standing discrepancy between theory and observation will have finally been resolved. However, if the older measurements are found to be correct, then the agreement between theory and observation is simply a coincidence and the existing discrepancies remain.

Ciência como montagem, montagem como ciência

The thesis describes parallel possibilities between the knowledge built in theatre and in Science. The narrative is constructed through a reflexive observation of the process of making a threatical play, specifically O Tempo da Chuva by Grupo Beira de Teatro , in analogy to the process of making a scientific theory, specifically the one described by Werner Heisenberg in his book Physics and Beyond: encounters and conversations . It sets a dialog with authors/actors from various areas of knowledge, such as Edgar Morin, Werner Heisenberg, René Descartes, Paul Feyerabend, Paul Caro, Juremir Machado da Silva, Maria da Conceição de Almeida, Renato Ferracini, among others. It discusses the hypothesis that Science is the process of building and the theatrical process of building a play can also be systematized, likewise science. The thesis defends, as the complexities science may suggest, a method as a strategy. Developed throughout the process, such method could only be verified at the end, when the elements of the setting of atomic physics theories and theatre were correlated. Questions such as: the place of theatre and science in our contemporary society and the political and ethical role of artists and scientists are at the episthemological basis of this narrative which we have started, but it is not even close to a conclusion

Many-body theory for systems of composite hadrons

Many-body systems of composite hadrons are characterized by processes that involve the simultaneous presence of hadrons and their constituents. We briefly review several methods that have been devised to study such systems and present a novel method that is based on the ideas of mapping between physical and ideal Fock spaces. The method, known as the Fock-Tani representation, was invented years ago in the context of atomic physics problems and was recently extended to hadronic physics. Starting with the Fock-space representation of single-hadron states, a change of representation is implemented by a unitary transformation such that composites are redescribed by elementary Bose and Fermi field operators in an extended Fock space. When the unitary transformation is applied to the microscopic quark Hamiltonian, effective, Hermitian Hamiltonians with a clear physical interpretation are obtained. The use of the method in connection with the linked-cluster formalism to describe short-range correlations and quark deconfinement effects in nuclear matter is discussed. As an application of the method, an effective nucleon-nucleon interaction is derived from a constituent quark model and used to obtain the equation of state of nuclear matter in the Hartree-Fock approximation.

The plethysm technique applied to the classification of nuclear states

A short summary of the theory of symmetric group and symmetric functions needed to follow the theory of Schur functions and plethysms is presented. One then defines plethysm, gives its properties and presents a procedure for its calculation. Finally, some aplications in atomic physics and nuclear structure are given.

Numerical study of the coupled time-dependent Gross-Pitaevskii equation: Application to Bose-Einstein condensation

The Bose-Einstein condensate of several types of trapped bosons at ultralow temperature was described using the coupled time dependent Gross-Pitaevskii equation. Both the stationary and time evolution problems were analyzed using this approach. The ground state stationary wave functions were found to be sharply peaked near the origin for attractive interatomic interaction for larger nonlinearity while for a repulsive interatomic interaction the wave function extends over a larger region of space.

Chaotic oscillation in an attractive Bose-Einstein condensate under an impulsive force

The chaotic oscillation in an attractive Bose-Einstein condensate (BEC) under an impulsive force was discussed using mean-field Gross-Pitaevskii (GP) equation. It was found that sustained chaotic oscillation resulted in a BEC under the action of an impulsive force generated by suddenly changing the interatomic scattering length or the harmonic oscillator trapping potential. The analysis suggested that the final state interatomic attraction played an important role in the generation of the chaotic dynamics.

Mean-field description of collapsing and exploding Bose-Einstein condensates

Numerical simulations based on the time-dependent mean-field Gross-Pitaevskii equation was performed to explain the dynamics of collapsing and exploding Bose-Einstein condensates (BEC) of 85Rb atoms. The atomic interaction was manipulated by an external magnetic field via a Feshbach resonance. On changing the scattering length of atomic interaction from a positive to a large negative value, the condensate collapsed and ejected atoms via explosion.

Effect of anharmonicities in the critical number of trapped condensed atoms with an attractive two-body interaction

The quantitative effect in the maximum number of particles and other static observables was determined. A deviation in the harmonic trap potential that is effective only outside the central part of the potential, with the addition of a term that is proportional to a cubic or quartic power of the distance was considered. Results showed that this study could be easily transferred to other trap geometries to estimate anharmonic effects.