Mechanisms of nonstoichiometry in HfN_1-<i>x</i>

Density functional theory is used to calculate defect structures that can accommodate nonstoichiometry in hafnium nitride: HfN1-x, 0 ≤ X ≤ 0.25. It is predicted that a mechanism assuming simple distributions of nitrogen vacancies can accurately describe the variation in the experimentally observed lattice parameter with respect to the nitrogen nonstoichiometry. Although the lattice parameter changes are remarkably small across the whole nonstoichiometry range, the variations in the bulk modulus are much greater

Models and Strategies for Variants of the Job Shop Scheduling Problem

Recently, a variety of constraint programming and Boolean satisfiability approaches to scheduling problems have been introduced. They have in common the use of relatively simple propagation mechanisms and an adaptive way to focus on the most constrained part of the problem. In some cases, these methods compare favorably to more classical constraint programming methods relying on propagation algorithms for global unary or cumulative resource constraints and dedicated search heuristics. In particular, we described an approach that combines restarting, with a generic adaptive heuristic and solution guided branching on a simple model based on a decomposition of disjunctive constraints. In this paper, we introduce an adaptation of this technique for an important subclass of job shop scheduling problems (JSPs), where the objective function involves minimization of earliness/tardiness costs. We further show that our technique can be improved by adding domain specific information for one variant of the JSP (involving time lag constraints). In particular we introduce a dedicated greedy heuristic, and an improved model for the case where the maximal time lag is 0 (also referred to as no-wait JSPs).Comment: Principles and Practice of Constraint Programming - CP 2011, Perugia : Italy (2011

Oxygen diffusion in Sr_0.75Y_0.25CoO_2.625: a molecular dynamics study

Oxygen diffusion in Sr0.75Y0.25CoO2.625 is investigated using molecular dynamics simulations in conjunction with an established set of Born model potentials. We predict an activation energy of diffusion for 1.56 eV in the temperature range of 1000-1400 K. We observe extensive disordering of the oxygen ions over a subset of lattice sites. Furthermore, oxygen ion diffusion both in the a-b plane and along the c axis requires the same set of rate-limiting ion hops. It is predicted that oxygen transport in Sr0.75Y0.25CoO2.625 is therefore isotropic

A Chandra X-ray Investigation of the Violent Interstellar Medium: From Dwarf Starbursts to Ultraluminous Infrared Galaxies

We have analyzed observations with the Chandra X-ray Observatory of the diffuse emission by hot gas in 7 dwarf starburst galaxies, 6 edge-on starburst galaxies, and 9 Ultra Luminous Infrared Galaxies. These systems cover ranges of \~ 10^4 in X-ray luminosity and several thousand in star formation rate and K-band luminosity (a proxy for stellar mass). Despite this range in fundamental parameters, we find that the properties of the diffuse X-ray emission are very similar in all three classes of starburst galaxies. The spectrum of the diffuse emission is well fit by thermal emission from gas with kT ~ 0.25 to 0.8 keV and with several-times-solar abundance ratios of alpha elements to Fe. The ratio of the thermal X-ray to far-infrared luminosity is roughly constant, as is the characteristic surface brightness of the diffuse X-ray emission. The size of the diffuse X-ray source increases systematically with both far-infrared and K-Band luminosity. All three classes show strong morphological relationships between the regions of hot gas probed by the diffuse X-ray emission and the warm gas probed by optical line emission. These findings suggest that the same physical mechanism is producing the diffuse X-ray emission in the three types of starbursts, and are consistent with that mechanism being shocks driven by a galactic "superwind'' powered by the kinetic energy collectively supplied by stellar winds and supernovae in the starburst.Comment: 37 pages, 13 figure

Population Growth and Other Statistics of Middle-sized Irish Towns. General Research Series Paper No. 85, April 1976

The basic aim of the study is the presentation of tables of comparative statistical data relating to 97 towns with population 5OO-1O,OOO in 1971 and analyses of such data. The exclusion of the four County Boroughs and Dun Laoghaire together with twelve other large towns and all small towns and villages, was to impart a degree of homogeneity to the inquiry, as regards function of town. The 97 towns range from Mullingar, the largest with a population of 9,245 to Cootehill with 1,542

Feedback in the local LBG Analog Haro 11 as probed by far-UV and X-ray observations

We have re-analyzed FUSE data and obtained new Chandra observations of Haro 11, a local (D_L=88 Mpc) UV luminous galaxy. Haro 11 has a similar far-UV luminosity (10^10.3 L_\odot), UV surface brightness (10^9.4 L_\odot kpc^-2), SFR, and metallicity to that observed in Lyman Break Galaxies (LBGs). We show that Haro 11 has extended, soft thermal (kT~0.68 keV) X-ray emission with a luminosity and size which scales with the physical properties (e.g. SFR, stellar mass) of the host galaxy. An enhanced alpha/Fe, ratio of ~4 relative to solar abundance suggests significant supernovae enrichment. These results are consistent with the X-ray emission being produced in a shock between a supernovae driven outflow and the ambient material. The FUV spectra show strong absorption lines similar to those observed in LBG spectra. A blueshifted absorption component is identified as a wind outflowing at ~200-280 km/s. OVI\lambda\lambda1032,1038 emission, the dominant cooling mechanism for coronal gas at T~10^5.5 K is also observed. If associated with the outflow, the luminosity of the OVI emission suggests that <20% of the total mechanical energy from the supernovae and solar winds is being radiated away. This implies that radiative cooling through OVI is not significantly inhibiting the growth of the outflowing gas. In contradiction to the findings of Bergvall et al 2006, we find no convincing evidence of Lyman continuum leakage in Haro 11. We conclude that the wind has not created a `tunnel' allowing the escape of a significant fraction of Lyman continuum photons and place a limit on the escape fraction of f_{esc}<2%. Overall, both Haro 11 and a previously observed LBG analogue VV 114, provide an invaluable insight into the X-ray and FUV properties of high redshift LBGs.Comment: Accepted for publication in ApJ, 40 pages, 17 figure

The space physics environment data analysis system (SPEDAS)

With the advent of the Heliophysics/Geospace System Observatory (H/GSO), a complement of multi-spacecraft missions and ground-based observatories to study the space environment, data retrieval, analysis, and visualization of space physics data can be daunting. The Space Physics Environment Data Analysis System (SPEDAS), a grass-roots software development platform (www.spedas.org), is now officially supported by NASA Heliophysics as part of its data environment infrastructure. It serves more than a dozen space missions and ground observatories and can integrate the full complement of past and upcoming space physics missions with minimal resources, following clear, simple, and well-proven guidelines. Free, modular and configurable to the needs of individual missions, it works in both command-line (ideal for experienced users) and Graphical User Interface (GUI) mode (reducing the learning curve for first-time users). Both options have “crib-sheets,” user-command sequences in ASCII format that can facilitate record-and-repeat actions, especially for complex operations and plotting. Crib-sheets enhance scientific interactions, as users can move rapidly and accurately from exchanges of technical information on data processing to efficient discussions regarding data interpretation and science. SPEDAS can readily query and ingest all International Solar Terrestrial Physics (ISTP)-compatible products from the Space Physics Data Facility (SPDF), enabling access to a vast collection of historic and current mission data. The planned incorporation of Heliophysics Application Programmer’s Interface (HAPI) standards will facilitate data ingestion from distributed datasets that adhere to these standards. Although SPEDAS is currently Interactive Data Language (IDL)-based (and interfaces to Java-based tools such as Autoplot), efforts are under-way to expand it further to work with python (first as an interface tool and potentially even receiving an under-the-hood replacement). We review the SPEDAS development history, goals, and current implementation. We explain its “modes of use” with examples geared for users and outline its technical implementation and requirements with software developers in mind. We also describe SPEDAS personnel and software management, interfaces with other organizations, resources and support structure available to the community, and future development plans.Published versio

Theory of Phonon Shakeup Effects on Photoluminescence from the Wigner Crystal in a Strong Magnetic Field

We develop a method to compute shakeup effects on photoluminescence from a strong magnetic field induced two-dimensional Wigner crystal. Only localized holes are considered. Our method treats the lattice electrons and the tunneling electron on an equal footing, and uses a quantum-mechanical calculation of the collective modes that does not depend in any way on a harmonic approximation. We find that shakeup produces a series of sidebands that may be identified with maxima in the collective mode density of states, and definitively distinguishes the crystal state from a liquid state in the absence of electron-hole interaction. In the presence of electron-hole interaction, sidebands also appear in the liquid state coming from short-range density fluctuations around the hole. However, the sidebands in the liquid state and the crystal state have different qualitative behaviors. We also find a shift in the main luminescence peak, that is associated with lattice relaxation in the vicinity of a vacancy. The relationship of the shakeup spectrum with previous mean-field calculations is discussed.Comment: 14 pages, uuencoded postscript file for entire paper, also available at (click phd14) http://rainbow.uchicago.edu/~ldz/paper/paper.htm