Shell and supershell structures of nanowires: A quantum-mechanical analysis

The stability of sodium nanowires is studied by modeling them as infinite uniform jellium cylinders and solving self-consistently for the electronic structure. The total energy per unit length oscillates as a function of the wire radius giving a shell structure. The amplitude of the energy oscillations attenuates regularly, reflecting a supershell structure. We compare our theoretical results with recent experiments [A. I. Yanson et al., Nature 400, 144 (1999); Phys. Rev. Lett. 84, 5832 (2000)] performed by the mechanically controllable break junctions (MCB) technique. The comparison clarifies the origin of the observed shell structure and especially the formation of the quantum beats of the supershell structure and supports the conclusions based on an earlier semiclassical model. The comparison is also a quantitative test for the reliability of the simple stabilized-jellium model as well as for the accuracy of the equation used to relate the conductivity and the area of the narrowest point of the constriction.Peer reviewe

Metallic properties of magnesium point contacts

We present an experimental and theoretical study of the conductance and stability of Mg atomic-sized contacts. Using Mechanically Controllable Break Junctions (MCBJ), we have observed that the room temperature conductance histograms exhibit a series of peaks, which suggests the existence of a shell effect. Its periodicity, however, cannot be simply explained in terms of either an atomic or electronic shell effect. We have also found that at room temperature, contacts of the diameter of a single atom are absent. A possible interpretation could be the occurrence of a metal-to-insulator transition as the contact radius is reduced, in analogy with what it is known in the context of Mg clusters. However, our first principle calculations show that while an infinite linear chain can be insulating, Mg wires with larger atomic coordinations, as in realistic atomic contacts, are alwaysmetallic. Finally, at liquid helium temperature our measurements show that the conductance histogram is dominated by a pronounced peak at the quantum of conductance. This is in good agreement with our calculations based on a tight-binding model that indicate that the conductance of a Mg one-atom contact is dominated by a single fully open conduction channel.Comment: 14 pages, 5 figure

Electronic and atomic shell structure in aluminum nanowires

We report experiments on aluminum nanowires in ultra-high vacuum at room temperature that reveal a periodic spectrum of exceptionally stable structures. Two "magic" series of stable structures are observed: At low conductance, the formation of stable nanowires is governed by electronic shell effects whereas for larger contacts atomic packing dominates. The crossover between the two regimes is found to be smooth. A detailed comparison of the experimental results to a theoretical stability analysis indicates that while the main features of the observed electron-shell structure are similar to those of alkali and noble metals, a sequence of extremely stable wires plays a unique role in Aluminum. This series appears isolated in conductance histograms and can be attributed to "superdeformed" non-axisymmetric nanowires.Comment: 15 pages, 9 figure

Hard X-ray Emission from the NGC 5044 Group

Observations made with the Rossi X-ray Timing Explorer (RXTE) Proportional Counter Array (PCA) to constrain the hard X-ray emission in the NGC 5044 group are reported here. Modeling a combined PCA and ROSAT position sensitive proportional counter (PSPC) spectrum with a 0.5 - 15 keV energy range shows excess hard emission above 4 keV. Addition of a powerlaw component with spectral index of 2.6 - 2.8 and luminosity of 2.6 x10^42 ergs/s within 700 kpc in the observed energy band removes these residuals. Thus, there is a detection of a significant non-thermal component that is 32% of the total X-ray emission. Point source emission makes up at most 14% of the non-thermal emission from the NGC 5044 group. Therefore, the diffuse, point source subtracted, non-thermal component is 2.2 - 3.0x10^42 ergs/s . The cosmic-ray electron energy density is 3.6 x10^[-12] ergs cm-3 and the average magnetic field is 0.034 \muGauss in the largest radio emitting region. The ratio of cosmic-ray electron energy density to magnetic field energy density, ~2.5x10^4, is significantly out of equipartition and is therefore atypical of radio lobes. In addition, the group's small size and low non-thermal energy density strongly contradicts the size-energy relationship found for radio lobes. Thus, it is unlikely to the related to the active galaxy and is most likely a relic of the merger. The energy in cosmic-rays and magnetic field is consistent with simulations of cosmic-ray acceleration by merger shocks.Comment: 17 pages, including 4 figures and 2 table

New capabilities for Monte Carlo simulation of deuteron transport and secondary products generation

Several important research programs are dedicated to the development of facilities based on deuteron accelerators. In designing these facilities, the definition of a validated computational approach able to simulate deuteron transport and evaluate deuteron interactions and production of secondary particles with acceptable precision is a very important issue. Current Monte Carlo codes, such as MCNPX or PHITS, when applied for deuteron transport calculations use built-in semi-analytical models to describe deuteron interactions. These models are found unreliable in predicting neutron and photon generated by low energy deuterons, typically present in those facilities. We present a new computational tool, resulting from an extension of the MCNPX code, which improve significantly the treatment of problems where any secondary product (neutrons, photons, tritons, etc.) generated by low energy deuterons reactions could play a major role. Firstly, it handles deuteron evaluated data libraries, which allow describing better low deuteron energy interactions. Secondly, it includes a reduction variance technique for production of secondary particles by charged particle-induced nuclear interactions, which allow reducing drastically the computing time needed in transport and nuclear response calculations. Verification of the computational tool is successfully achieved. This tool can be very helpful in addressing design issues such as selection of the dedicated neutron production target and accelerator radioprotection analysis. It can be also helpful to test the deuteron cross-sections under development in the frame of different international nuclear data program

The mass-metallicity gradient relation of early-type galaxies

We present a newly observed relation between galaxy mass and radial metallicity gradients of early-type galaxies. Our sample of 51 early-type galaxies encompasses a comprehensive mass range from dwarf to brightest cluster galaxies. The metallicity gradients are measured out to one effective radius by comparing nearly all of the Lick absorption-line indices to recent models of single stellar populations. The relation shows very different behaviour at low and high masses, with a sharp transition being seen at a mass of ~ 3.5 x 10^10 M_sun (velocity dispersion of ~140 km/s, M_B ~ -19). Low-mass galaxies form a tight relation with mass, such that metallicity gradients become shallower with decreasing mass and positive at the very low-mass end. Above the mass transition point several massive galaxies have steeper gradients, but a clear downturn is visible marked by a broad scatter. The results are interpreted in comparison with competing model predictions. We find that an early star-forming collapse could have acted as the main mechanism for the formation of low-mass galaxies, with star formation efficiency increasing with galactic mass. The high-mass downturn could be a consequence of merging and the observed larger scatter a natural result of different merger properties. These results suggest that galaxies above the mass threshold of ~ 3.5 x 10^10 M_sun might have formed initially by mergers of gas-rich disc galaxies and then subsequently evolved via dry merger events. The varying efficiency of the dissipative merger-induced starburst and feedback processes have shaped the radial metallicity gradients in these high-mass systems.Comment: 5 pageg, 3 figures, accepted by ApJ Lette

Ages and Abundances of Red Sequence Galaxies as a Function of LINER Emission Line Strength

Although the spectrum of a prototypical early-type galaxy is assumed to lack emission lines, a substantial fraction (likely as high as 30%) of nearby red sequence galaxy spectra contain emission lines with line ratios characteristic of low ionization nuclear emission-line regions (LINERs). We use spectra of ~6000 galaxies from the Sloan Digital Sky Survey (SDSS) in a narrow redshift slice (0.06 < z < 0.08) to compare the stellar populations of red sequence galaxies with and without LINER-like emission. The spectra are binned by internal velocity dispersion and by emission properties to produce high S/N stacked spectra. The recent stellar population models of R. Schiavon (2007) make it possible to measure ages, [Fe/H], and individual elemental abundance ratios [Mg/Fe], [C/Fe], [N/Fe], and [Ca/Fe] for each of the stacked spectra. We find that red sequence galaxies with strong LINER-like emission are systematically 2-3.5 Gyr (10-40%) younger than their emission-free counterparts at the same velocity dispersion. This suggests a connection between the mechanism powering the emission (whether AGN, post-AGB stars, shocks, or cooling flows) and more recent star formation in the galaxy. We find that mean stellar age and [Fe/H] increase with velocity dispersion for all galaxies. Elemental abundance [Mg/Fe] increases modestly with velocity dispersion in agreement with previous results, and [C/Fe] and [N/Fe] increase more strongly with velocity dispersion than does [Mg/Fe]. [Ca/Fe] appears to be roughly solar for all galaxies. At fixed velocity dispersion, galaxies with fainter r-band luminosities have lower [Fe/H] and older ages but similar abundance ratios compared to brighter galaxies.Comment: 25 pages, 17 figures, Accepted for publication in ApJ as of 16 July 2007; acceptance status updated, paper unchange

The spatial distribution and origin of the FUV excess in early-type galaxies

We present surface photometry of a sample of 52 galaxies from the GALEX and 2MASS data archives, these include 32 normal elliptical galaxies, 10 ellipticals with weak Liner or other nuclear activity, and 10 star forming ellipticals or early-type spirals. We examine the spatial distribution of the Far Ultra-Violet excess in these galaxies, and its correlation with dynamical and stellar population properties of the galaxies. From aperture photometry we find that all galaxies except for recent major remnants and galaxies with ongoing star formation show a positive gradient in the (FUV-NUV) colour determined from the GALEX images. The logarithmic gradient does not correlate with any stellar population parameter, but it does correlate with the central velocity dispersion. The strength of the excess on the other hand, correlates with both [alpha/Fe] and [Z/H], but more strongly with the former. We derive models of the underlying stellar population from the 2MASS H-band images, and the residual of the image from this model reveals a map of the centrally concentrated FUV excess. We examine a possible hypothesis for generating the FUV excess and the radial gradient in its strength, involving a helium abundance gradient set up early in the formation process of the galaxies. If this hypothesis is correct, the persistence of the gradients to the present day places a strong limit on the importance of dry mergers in the formation of ellipticals.Comment: 36 pages, accepted for publication in MNRAS. Appendices will appear in online journal only. This version has reduced resolution for the figure in Appendix B to comply with arXiv size limit

The Dark Energy Survey Data Management System

The Dark Energy Survey collaboration will study cosmic acceleration with a 5000 deg2 griZY survey in the southern sky over 525 nights from 2011-2016. The DES data management (DESDM) system will be used to process and archive these data and the resulting science ready data products. The DESDM system consists of an integrated archive, a processing framework, an ensemble of astronomy codes and a data access framework. We are developing the DESDM system for operation in the high performance computing (HPC) environments at NCSA and Fermilab. Operating the DESDM system in an HPC environment offers both speed and flexibility. We will employ it for our regular nightly processing needs, and for more compute-intensive tasks such as large scale image coaddition campaigns, extraction of weak lensing shear from the full survey dataset, and massive seasonal reprocessing of the DES data. Data products will be available to the Collaboration and later to the public through a virtual-observatory compatible web portal. Our approach leverages investments in publicly available HPC systems, greatly reducing hardware and maintenance costs to the project, which must deploy and maintain only the storage, database platforms and orchestration and web portal nodes that are specific to DESDM. In Fall 2007, we tested the current DESDM system on both simulated and real survey data. We used Teragrid to process 10 simulated DES nights (3TB of raw data), ingesting and calibrating approximately 250 million objects into the DES Archive database. We also used DESDM to process and calibrate over 50 nights of survey data acquired with the Mosaic2 camera. Comparison to truth tables in the case of the simulated data and internal crosschecks in the case of the real data indicate that astrometric and photometric data quality is excellent.Comment: To be published in the proceedings of the SPIE conference on Astronomical Instrumentation (held in Marseille in June 2008). This preprint is made available with the permission of SPIE. Further information together with preprint containing full quality images is available at http://desweb.cosmology.uiuc.edu/wik

Quantum size effects in Pb islands on Cu(111): Electronic-structure calculations

The appearance of "magic" heights of Pb islands grown on Cu(111) is studied by self-consistent electronic structure calculations. The Cu(111) substrate is modeled with a one-dimensional pseudopotential reproducing the essential features, i.e. the band gap and the work function, of the Cu band structure in the [111] direction. Pb islands are presented as stabilized jellium overlayers. The experimental eigenenergies of the quantum well states confined in the Pb overlayer are well reproduced. The total energy oscillates as a continuous function of the overlayer thickness reflecting the electronic shell structure. The energies for completed Pb monolayers show a modulated oscillatory pattern reminiscent of the super-shell structure of clusters and nanowires. The energy minima correlate remarkably well with the measured most probable heights of Pb islands. The proper modeling of the substrate is crucial to set the quantitative agreement.Comment: 4 pages, 4 figures. Submitte