Density functional theory of superconductivity in doped tungsten oxides

We apply density functional theory for superconductors (SCDFT) to doped tungsten oxide in three forms: electrostatically doped WO3, perovskite WO3−xFx, and hexagonal CsxWO3. We achieve a consistent picture in which the experimental superconducting transition temperature Tc is reproduced, and superconductivity is understood as a weak-coupling state sustained by soft vibrational modes of the WO6 octahedra. SCDFT simulations of CsxWO3 allow us to explain the anomalous Tc behavior observed in most tungsten bronzes, where Tc decreases with increasing carrier density. Here, the opening of structural channels to host Cs atoms induces a softening of strongly coupled W-O modes. By increasing the Cs content, these modes are screened and Tc is strongly reduced

Nucleate pool boiling investigation on a silicon test section with micro-fabricated cavities

The basic mechanisms of nucleate boiling are still not completely understood, in spite of the many numerical and experimental studies dedicated to the topic. The use of a hybrid code allows reasonable computational times for simulations of a solid plate with a large population of artificial micro-cavities with fixed distribution. This paper analyses the guidelines for the design, through numerical simulations, of the location and sizes of micro-fabricated cavities on a new silicon test section immersed in FC-72 at the saturation temperature for different pressures with an imposed heat flux applied at the back of the plate. Particular focus is on variations of wall temperature around nucleation sites

Automated analysis of quantitative image data using isomorphic functional mixed models, with application to proteomics data

Image data are increasingly encountered and are of growing importance in many areas of science. Much of these data are quantitative image data, which are characterized by intensities that represent some measurement of interest in the scanned images. The data typically consist of multiple images on the same domain and the goal of the research is to combine the quantitative information across images to make inference about populations or interventions. In this paper we present a unified analysis framework for the analysis of quantitative image data using a Bayesian functional mixed model approach. This framework is flexible enough to handle complex, irregular images with many local features, and can model the simultaneous effects of multiple factors on the image intensities and account for the correlation between images induced by the design. We introduce a general isomorphic modeling approach to fitting the functional mixed model, of which the wavelet-based functional mixed model is one special case. With suitable modeling choices, this approach leads to efficient calculations and can result in flexible modeling and adaptive smoothing of the salient features in the data. The proposed method has the following advantages: it can be run automatically, it produces inferential plots indicating which regions of the image are associated with each factor, it simultaneously considers the practical and statistical significance of findings, and it controls the false discovery rate.Comment: Published in at http://dx.doi.org/10.1214/10-AOAS407 the Annals of Applied Statistics (http://www.imstat.org/aoas/) by the Institute of Mathematical Statistics (http://www.imstat.org

Momentum-driven outflow emission from an O-type YSO: Comparing the radio jet with the molecular outflow

Aims: We want to study the physical properties of the ionized jet emission in the vicinity of an O-type young stellar object (YSO), and estimate how efficient is the transfer of energy and momentum from small- to large-scale outflows. Methods: We conducted Karl G. Jansky Very Large Array (VLA) observations, at both 22 and 45 GHz, of the compact and faint radio continuum emission in the high-mass star-forming region G023.01-00.41, with an angular resolution between 0.3" and 0.1", and a thermal rms of the order of 10 uJy/beam. Results: We discovered a collimated thermal (bremsstrahlung) jet emission, with a radio luminosity (L_rad) of 24 mJy kpc^2 at 45 GHz, in the inner 1000 AU from an O-type YSO. The radio thermal jet has an opening angle of 44 degrees and brings a momentum rate of 8 10^-3 M_sun yr^-1 km/s. By combining the new data with previous observations of the molecular outflow and water maser shocks, we can trace the outflow emission from its driving source through the molecular clump, across more than two order of magnitude in length (500 AU-0.2 pc). We find that the momentum-transfer efficiency, between the inner jet emission and the extended outflow of entrained ambient gas, is near unity. This result suggests that the large-scale flow is swept-up by the mechanical force of the radio jet emission, which originates in the inner 1000 AU from the high-mass YSO.Comment: 5 pages, 2 figures, 2 tables, accepted by Astronomy & Astrophysic

Evidence for impurity-induced frustration in La2CuO4

Zero-field muon spin rotation and magnetization measurements were performed in La2Cu{1-x}MxO4, for 0<x< 0.12, where Cu2+ is replaced either by M=Zn2+ or by M=Mg2+ spinless impurity. It is shown that while the doping dependence of the sublattice magnetization (M(x)) is nearly the same for both compounds, the N\'eel temperature (T_N(x)) decreases unambiguously more rapidly in the Zn-doped compound. This difference, not taken into account within a simple dilution model, is associated with the frustration induced by the Zn2+ impurity onto the Cu2+ antiferromagnetic lattice. In fact, from T_N(x) and M(x) the spin stiffness is derived and found to be reduced by Zn doping more significantly than expected within a dilution model. The effect of the structural modifications induced by doping on the exchange coupling is also discussed.Comment: 4 pages, 4 figure

The virial theorem and exact properties of density functionals for periodic systems

In the framework of density functional theory, scaling and the virial theorem are essential tools for deriving exact properties of density functionals. Preexisting mathematical difficulties in deriving the virial theorem via scaling for periodic systems are resolved via a particular scaling technique. This methodology is employed to derive universal properties of the exchange-correlation energy functional for periodic systems.Comment: Accepted in PRB(R) 201

Electronic, dynamical and superconducting properties of CaBeSi

We report first-principles calculations on the normal and superconducting state of CaBe(x)Si(2-x) (x=1), in the framework of density functional theory for superconductors (SCDFT). CaBeSi is isostructural and isoelectronic to MgB2 and this makes possible a direct comparison of the electronic and vibrational properties and the electron-phonon interaction of the two materials. Despite the many similarities with MgB2 (e.g. sigma bands at the Fermi level and a larger Fermi surface nesting), according to our calculations CaBeSi has a very low critical temperature (Tc ~ 0.4 K, consistent with the experiment). CaBeSi exhibits a complex gap structure, with three gaps at Fermi level: besides the two sigma and pi gaps, present also in MgB2, the appearance of a third gap is related to the anisotropy of the Coulomb repulsion, acting in different way on the bonding and antibonding electronic pi states.Comment: 6 pages, 5 figure

Evidence for impurity-induced frustration in La2CuO4

Zero-field muon spin rotation and magnetization measurements were performed in La2Cu{1-x}MxO4, for 0<x< 0.12, where Cu2+ is replaced either by M=Zn2+ or by M=Mg2+ spinless impurity. It is shown that while the doping dependence of the sublattice magnetization (M(x)) is nearly the same for both compounds, the N\'eel temperature (T_N(x)) decreases unambiguously more rapidly in the Zn-doped compound. This difference, not taken into account within a simple dilution model, is associated with the frustration induced by the Zn2+ impurity onto the Cu2+ antiferromagnetic lattice. In fact, from T_N(x) and M(x) the spin stiffness is derived and found to be reduced by Zn doping more significantly than expected within a dilution model. The effect of the structural modifications induced by doping on the exchange coupling is also discussed.Comment: 4 pages, 4 figure

A study on subarcsecond scales of the ammonia and continuum emission toward the G16.59-0.05 high-mass star-forming region

We wish to investigate the structure, velocity field, and stellar content of the G16.59-0.05 high-mass star-forming region, where previous studies have established the presence of two almost perpendicular (NE-SW and SE-NW), massive outflows, and a rotating disk traced by methanol maser emission. We performed Very Large Array observations of the radio continuum and ammonia line emission, complemented by COMICS/Subaru and Hi-GAL/Herschel images in the mid- and far-infrared (IR). Our centimeter continuum maps reveal a collimated radio jet that is oriented E-W and centered on the methanol maser disk, placed at the SE border of a compact molecular core. The spectral index of the jet is negative, indicating non-thermal emission over most of the jet, except the peak close to the maser disk, where thermal free-free emission is observed. We find that the ammonia emission presents a bipolar structure consistent (on a smaller scale) in direction and velocity with that of the NE-SW bipolar outflow detected in previous CO observations. After analyzing our previous N2H+(1-0) observations again, we conclude that two scenarios are possible. In one case both the radio jet and the ammonia emission would trace the root of the large-scale CO bipolar outflow. The different orientation of the jet and the ammonia flow could be explained by precession and/or a non-isotropic density distribution around the star. In the other case, the N2H+(1-0) and ammonia bipolarity is interpreted as two overlapping clumps moving with different velocities along the line of sight. The ammonia gas also seems to undergo rotation consistent with the maser disk. Our IR images complemented by archival data allow us to derive a bolometric luminosity of about 10^4 L_sun and to conclude that most of the luminosity is due to the young stellar object associated with the maser disk.Comment: 11 pages, 12 figures, published in Astronomy and Astrophysic

Growth of Listeria Monocytogenes in ready to eat salads at different storage temperatures and valuation of virulence genes expression

BACKGROUND: Vegetables are major components of a healthy and balanced diet. However, 25% of foodborne diseases are linked to the consumption of vegetables. STUDY DESIGN: The aim of this work was to assess the microbiological risks associated with consumption of ready to eat salads (RTE). METHODS: Microbiological challenge tests were carried out for the evaluation of the L. monocytogenes growth potential in RTE salads stored at different temperatures. RESULTS: The results indicate that L.monocytogenes was able to grow (δ ≥ 0.5) in all storage conditions considered at the end of shelf life. In order to evaluate the virulence role of L. monocytogenes, the temperature-dependent transcription of major virulence genes was also investigated by RT-PCR. CONCLUSIONS: The microbiological challenge test allowed us to confirm, as also demonstrated by other authors, that RTE salads are able to support the growth of L. monocytogenes strains (d δ≥ 0.5) stored under different temperatures