Sodium: a charge-transfer insulator at high pressures

By means of first-principles methods we analyze the optical response of transparent dense sodium as a function of applied pressure. We discover an unusual kind of charge-transfer exciton that proceeds from the interstitial distribution of valence electrons repelled away from the ionic cores by the Coulomb interaction and the Pauli repulsion. The predicted absorption spectrum shows a strong anisotropy with light polarization that just at pressures above the metal-insulator transition manifests as sodium being optically transparent in one direction but reflective in the other. This result provides a key information about the crystal structure of transparent sodium, a new unconventional inorganic electride.Comment: revtex4, 5+8 page

Polymeric antioxidants from 2,6-Di-t-Butylphenol derivatives.

Polymer Science and EngineeringDoctor of Philosophy (PhD

A sensitive survey for 13CO, CN, H2CO and SO in the disks of T Tauri and Herbig Ae stars

We use the IRAM 30-m telescope to perform a sensitive search for CN N=2-1 in 42 T Tauri or Herbig Ae systems located mostly in the Taurus-Auriga region. $^{13}$CO J=2-1 is observed simultaneously to indicate the level of confusion with the surrounding molecular cloud. The bandpass also contains two transitions of ortho-H$_2$CO, one of SO and the C$^{17}$O J=2-1 line which provide complementary information on the nature of the emission. While $^{13}$CO is in general dominated by residual emission from the cloud, CN exhibits a high disk detection rate $> 50$% in our sample. We even report CN detection in stars for which interferometric searches failed to detect $^{12}$CO, presumably because of obscuration by a foreground, optically thick, cloud. Comparison between CN and o-H$_2$CO or SO line profiles and intensities divide the sample in two main categories. Sources with SO emission are bright and have strong H$_2$CO emission, leading in general to [H$_2$CO/CN]$> 0.5$. Furthermore, their line profiles, combined with a priori information on the objects, suggest that the emission is coming from outflows or envelopes rather than from a circumstellar disk. On the other hand, most sources have [H$_2$CO/CN]$< 0.3$, no SO emission, and some of them exhibit clear double-peaked profiles characteristics of rotating disks. In this second category, CN is likely tracing the proto-planetary disks. From the line flux and opacity derived from the hyperfine ratios, we constrain the outer radii of the disks, which range from 300 to 600 AU. The overall gas disk detection rate (including all molecular tracers) is $\sim 68$, and decreases for fainter continuum sources. This study shows that gas disks, like dust disks, are ubiquitous around young PMS stars in regions of isolated star formation, and that a large fraction of them have $R > 300$ AU.Comment: 31 pages (including 59 figures

Sensitive survey for 13CO, CN, H2CO, and SO in the disks of T Tauri and Herbig Ae stars II: Stars in ρ\rho Oph and upper Scorpius

We attempt to determine the molecular composition of disks around young low-mass stars in the $\rho$ Oph region and to compare our results with a similar study performed in the Taurus-Auriga region. We used the IRAM 30 m telescope to perform a sensitive search for CN N=2-1 in 29 T Tauri stars located in the $\rho$ Oph and upper Scorpius regions. $^{13}$CO J=2-1 is observed simultaneously to provide an indication of the level of confusion with the surrounding molecular cloud. The bandpass also contains two transitions of ortho-H$_2$CO, one of SO, and the C$^{17}$O J=2-1 line, which provides complementary information on the nature of the emission. Contamination by molecular cloud in $^{13}$CO and even C$^{17}$O is ubiquitous. The CN detection rate appears to be lower than for the Taurus region, with only four sources being detected (three are attributable to disks). H$_2$CO emission is found more frequently, but appears in general to be due to the surrounding cloud. The weaker emission than in Taurus may suggest that the average disk size in the $\rho$ Oph region is smaller than in the Taurus cloud. Chemical modeling shows that the somewhat higher expected disk temperatures in $\rho$ Oph play a direct role in decreasing the CN abundance. Warmer dust temperatures contribute to convert CN into less volatile forms. In such a young region, CN is no longer a simple, sensitive tracer of disks, and observations with other tracers and at high enough resolution with ALMA are required to probe the gas disk population.Comment: 18 pages, 5 figures, accepted for publication in A&

Designing Dirac points in two-dimensional lattices

We present a framework to elucidate the existence of accidental contacts of energy bands, particularly those called Dirac points which are the point contacts with linear energy dispersions in their vicinity. A generalized von-Neumann-Wigner theorem we propose here gives the number of constraints on the lattice necessary to have contacts without fine tuning of lattice parameters. By counting this number, one could quest for the candidate of Dirac systems without solving the secular equation. The constraints can be provided by any kinds of symmetry present in the system. The theory also enables the analytical determination of k-point having accidental contact by selectively picking up only the degenerate solution of the secular equation. By using these frameworks, we demonstrate that the Dirac points are feasible in various two-dimensional lattices, e.g. the anisotropic Kagome lattice under inversion symmetry is found to have contacts over the whole lattice parameter space. Spin-dependent cases, such as the spin-density-wave state in LaOFeAs with reflection symmetry, are also dealt with in the present scheme.Comment: 15pages, 9figures (accepted to Phys. Rev. B

Evaluation of the tailings basins pollution potential

Tailings basins within mining areas may represent potential sources of environmental contamination for soil and underground water. In fact, the disposed muds are typically characterized by high concentration of heavy metals and other possibly dangerous compounds. The tailings basins built in Europe before the legal implementation of the EU Directive on the landfill of waste (Directive 99/31) were not provided with impermeable barriers. In such conditions, during the initial period of the basin life the liquid phase in the disposed residue filtrates throughout the solid phase under a unit vertical hydraulic gradient, reaching the soil underneath; afterword, when the accumulated mud forms an impermeable layer at the bottom of the basin, the same mud, under the load of the superimposed new strata, consolidates, ejecting liquids throughout the bottom. The article discusses the implementation criterion aimed at evaluating the conformity of old tailing basin to the new regulation on landfill of waste and a method for the calculation of the rate of polluted liquids released through the bottom of a tailing basin during its operative life and after its closure

Experimental evaluation of PM emission from red mud basins exposed to wind erosion

The disposal of industrial and mineral processing residues represents a major concern for human health and the environment as a whole. In order to reduce the impact on soil and groundwater due to the waste leachability, the implementation of environmental regulations worldwide has favored the conversion of the disposal techniques from wet to dry (i.e., dry stacking or dry disposal). Such a change in the storage practice may cause the increase of particulate matter (PM) emission from the dry surfaces of the tailings exposed to wind erosion. Considering the significance of the environmental issue on a global scale and the increasingly stricter orientation of environmental policies, the need for modeling tools capable of estimating the contribution of tailing basins to air pollution becomes apparent. The paper deals with the disposal of red mud resulting from the bauxite processing in the alumina industry. An experimental research was carried with an environmental wind tunnel to estimate the Emission Factor (EF) of the basin surfaces as a function of the main affecting variables (i.e., residue water content and wind velocity). The article reports the results of the experimental test carried out on the red mud from a major basin located in Sardinia (Italy)

Membership of the Orion Nebula Population from the Chandra Orion Ultradeep Project

The Chandra Orion Ultradeep project (COUP) observation described in a companion paper by Getman et al. provides an exceptionally deep X-ray survey of the Orion Nebula Cluster and associated embedded young stellar objects. Membership of the region is important for studies of the stellar IMF, cluster dynamics, and star formation. The COUP study detected 1616 X-ray sources. In this study we confirm cloud membership for 1315 stars, identify 16 probable foreground field stars having optical counterparts with discrepant proper motions, and classify the remaining 285 X-ray sources, of which 51 are lightly and 234 heavily obscured. The 51 lightly obscured sources without known counterparts fall into three groups. (i) Sixteen are likely new members of the Orion Nebula Cluster. (ii) Two with unusually soft and non-flaring X-ray emission appear to be associated with nebular shocks, and may be new examples of X-rays produced at the bow shocks of Herbig-Haro outflows. (iii) The remaining thirty three are very weak uncertain sources, possibly spurious. Out of 234 heavily absorbed sources without optical or near-infrared counterparts 75 COUP sources are likely new embedded cloud members (with membership for 42 confirmed by powerful X-ray flares), and the remaining 159 are likely extragalactic AGN seen through the molecular cloud, as argued by a careful simulation of the extragalactic background population. Finally, a few new binary companions to Orion stars may have been found, but most cases of proximate COUP sources can be attributed to chance superpositions in this crowded field.Comment: 49 pages, 6 figures, 5 tables. Accepted for publication in ApJS, special issue dedicated to Chandra Orion Ultradeep Project. A version with high quality figures can be found at http://www.astro.psu.edu/users/gkosta/COUP_Membership.pd

X-rays from HH210 in the Orion nebula

We report the detection during the Chandra Orion Ultradeep Project (COUP) of two soft, constant, and faint X-ray sources associated with the Herbig-Haro object HH210. HH210 is located at the tip of the NNE finger of the emission line system bursting out of the BN-KL complex, northwest of the Trapezium cluster in the OMC-1 molecular cloud. Using a recent Halpha image obtained with the ACS imager on board HST, and taking into account the known proper motions of HH210 emission knots, we show that the position of the brightest X-ray source, COUP703, coincides with the emission knot 154-040a of HH210, which is the emission knot of HH210 having the highest tangential velocity (425 km/s). The second X-ray source, COUP704, is located on the complicated emission tail of HH210 close to an emission line filament and has no obvious optical/infrared counterpart. Spectral fitting indicates for both sources a plasma temperature of ~0.8 MK and absorption-corrected X-ray luminosities of about 1E30 erg/s (0.5-2.0 keV). These X-ray sources are well explained by a model invoking a fast-moving, radiative bow shock in a neutral medium with a density of ~12000 cm^{-3}. The X-ray detection of COUP704 therefore reveals, in the complicated HH210 region, an energetic shock not yet identified at other wavelengths.Comment: 5 pages, 3 figures; accepted for publication in A&A Letter