Robust ab initio calculation of condensed matter: transparent convergence through semicardinal multiresolution analysis

We present the first wavelet-based all-electron density-functional calculations to include gradient corrections and the first in a solid. Direct comparison shows this approach to be unique in providing systematic ``transparent'' convergence, convergence with a priori prediction of errors, to beyond chemical (millihartree) accuracy. The method is ideal for exploration of materials under novel conditions where there is little experience with how traditional methods perform and for the development and use of chemically accurate density functionals, which demand reliable access to such precision.Comment: 4 pages, 3 figures, 4 tables. Submitted to Phys. Rev. Lett. (updated to include GGA

Analysis of Jovian decametric data: Study of radio emission mechanisms

The Voyager 1 and Voyager 2 Planetary Radio Astronomy Experiments (PRA) have produced the finest set of Jovian decametric radio emission data ever obtained. Jovian decametric L-burst and S-burst arcs were characterized and the data reconciled with models for the radio emission geometry and mechanisms. The first major results involve comparisons of the distribution of arc separations with longitudes. The identification and analyses of systematic variations in the PRA data have yielded interesting results, but only the most obvious features of the data were examined. Analyses of the PRA data were extended with the use of new 6-Sec formats that are more sensitive to the S-bursts

Universe acceleration and fine structure constant variation in BSBM theory

In this work we investigate the utility of using SNe Ia observations in constraining the cosmological parameters in BSBM theory where a scalar field is responsible for both fine structure constant variation and late time universe acceleration. The model is discussed in the presence of an exponential self potential for the scalar field. Stability and phase space analysis of the solutions are studied. The model is tested against observational data for Hubble parameter and quasar absorption spectra. With the best fitted model parameters, the theory predicts a good match with the experimental results and exhibits fine structure constant variation. The analysis also shows that for the equation of state parameter, recent universe acceleration and possible phantom crossing in future is forecasted.Comment: 14 pages, 10 figures, final version with minor modification accepted to be published in JCA

Inhomogeneous molecular ring around the B[e] supergiant LHA 120-S 73

We aim to improve our knowledge on the structure and dynamics of the circumstellar disk of the LMC B[e] supergiant LHA 120-S 73. High-resolution optical and near-IR spectroscopic data were obtained over a period of 16 and 7 years, respectively. The spectra cover the diagnostic emission lines from [CaII] and [OI], as well as the CO bands. These features trace the disk at different distances from the star. We analyzed the kinematics of the individual emission regions by modeling their emission profiles. A low-resolution mid-infrared spectrum was obtained as well, which provides information on the composition of the dusty disk. All diagnostic emission features display double-peaked line profiles, which we interpret as due to Keplerian rotation. We find that LHA 120-S 73 is surrounded by at least four individual rings of material with alternating densities (or by a disk with strongly non-monotonic radial density distribution). Moreover, we find that the molecular ring must have gaps or at least strong density inhomogeneities, or in other words, a clumpy structure. The mid-infrared spectrum displays features of oxygen- and carbon-rich grain species, which indicates a long-lived, stable dusty disk. We cannot confirm the previously reported high value for the stellar rotation velocity. The line profile of HeI 5876 A is strongly variable in both width and shape and resembles of those seen in non-radially pulsating stars. A proper determination of the real underlying stellar rotation velocity is hence not possible. The existence of multiple stable and clumpy rings of alternating density recalls ring structures around planets. Although there is currently insufficient observational evidence, it is tempting to propose a scenario with one (or more) minor bodies or planets revolving around LHA 120-S 73 and stabilizing the ring system, in analogy to the shepherd moons in planetary systems.Comment: 14 pages, 13 figure, accepted for pulication in A&

Microsatellite markers in Spanish lime (Melicoccus bijugatus Jacq., Sapindaceae), a neglected Neotropical fruit crop

Spanish lime (Melicoccus bijugatus Jacq.) is aNeotropical fruit tree cultivated, mainly, in orchards for self-consumption or local sale. The genus Melicoccus includes other nine species with edible fruits, some of these species are at risk of extinction. Like for the vast majority of tropical fruit trees, there is no information on the genetic diversity of Spanish lime and its related species, and this is mostly due to the lack of molecular markers. The objectives of this study were to present the first microsatellite markers developed for Spanish lime, testing its usefulness on a sample of cultivated accessions, as well as its transferability to Huaya India (M. oliviformis). To do this, we performed high-throughput sequencing of microsatellite-enriched libraries of Spanish lime using Roche 454, assembled 9567 DNA contig sequences and identified 10,117 microsatellites. After screening 384 of those microsatellites on four DNA samples, 31 polymorphic markers were used to screen 25 accessions of Spanish lime and five of Huaya India collected in Yucatan, Mexico. Genetic diversity was low in Spanish lime (A = 20.61, HE = 0.38) and similar for both sexes of this species. Neighbor-Joining and PCoA analyses clearly discriminated between the two Melicoccus species studied. Nine of the markers showed unique alleles for Huaya India. The set of microsatellite markers developed has a great potential to generate information in relation to conservation genetics, improvement of elite cultivars and breeding programs for Spanish lime and related species

Magnetic structure and orbital ordering in BaCoO3 from first-principles calculations

Ab initio calculations using the APW+lo method as implemented in the WIEN2k code have been used to describe the electronic structure of the quasi-one-dimensional system BaCoO3. Both, GGA and LDA+U approximations were employed to study different orbital and magnetic orderings. GGA predicts a metallic ground state whereas LDA+U calculations yield an insulating and ferromagnetic ground state (in a low-spin state) with an alternating orbital ordering along the Co-Co chains, consistent with the available experimental data.Comment: 8 pages, 9 figure

Pressure dependence of the melting mechanism at the limit of overheating in Lennard-Jones crystals

We study the pressure dependence of the melting mechanism of a surface free Lennard-Jones crystal by constant pressure Monte Carlo simulation. The difference between the overheating temperature($T_{OH}$) and the thermodynamical melting point($T_M$) increase for increasing pressure. When particles move into the repulsive part of the potential the properties at $T_{OH}$ change. There is a crossover pressure where the volume jump becomes pressure-independent. The overheating limit is pre-announced by thermal excitation of big clusters of defects. The temperature zone where the system is dominated by these big clusters of defects increases with increasing pressure. Beyond the crossover pressure we find that excitation of defects and clusters of them start at the same temperature scale related with $T_{OH}$.Comment: 6 pages, 5 figures. Accepted for publication in Physical Review