Charge transfer electrostatic model of compositional order in perovskite alloys

We introduce an electrostatic model including charge transfer, which is shown to account for the observed B-site ordering in Pb-based perovskite alloys. The model allows charge transfer between A-sites and is a generalization of Bellaiche and Vanderbilt's purely electrostatic model. The large covalency of Pb^{2+} compared to Ba^{2+} is modeled by an environment dependent effective A-site charge. Monte Carlo simulations of this model successfully reproduce the long range compositional order of both Pb-based and Ba-based complex A(BB^{'}B^{''})O_3 perovskite alloys. The models are also extended to study systems with A-site and B-site doping, such as (Na_{1/2}La_{1/2})(Mg_{1/3}Nb_{2/3})O_3, (Ba_{1-x}La_{x})(Mg_{(1+x)/3}Nb_{(2-x)/3})O_3 and (Pb_{1-x}La_{x})(Mg_{(1+x)/3}Ta_{(2-x)/3})O_3. General trends are reproduced by purely electrostatic interactions, and charge transfer effects indicate that local structural relaxations can tip the balance between different B-site orderings in Pb based materials.Comment: 15 pages, 6 figure

The Rotation of Sub-Populations in omega Centauri

We present the first result of the Ital-FLAMES survey of red giant branch (RGB) stars in omega Cen. Radial velocities with a precision of ~0.5 km/s are presented for 650 members of omega Cen observed with FLAMES-Giraffe at the Very Large Telescope. We found that stars belonging to the metal -poor (RGB-MP), metal-intemediate (RGB-MInt) and metal-rich (RGB-a) sub -populations of Omega Cen are all compatible with having the same rotational pattern. Our results appear to contradict past findings by Norris et al., who could not detect any rotational signature for metal -rich stars. The slightly higher precision of the present measurements and the much larger sample size, especially for the metal-richer stars, appear as the most likely explanation for this discrepancy. The result presented here weakens the body of evidence in favour of a merger event in the past history of omega Cen.Comment: 5 pages, 3 fiures, electronic table can be obtained from E. Pancino. Accepted for publication in ApJ Letter

Polymer Sensors for the Quantification of Waterborne Uranium

Clandestine activities involving the separation, concentration or manipulation of special nuclear material for the express purpose of developing a weapon of mass destruction is likely to result in the contamination of environmental water sources. The capability to conduct isotopic analyses for waterborne special nuclear material, like uranium, would be a powerful nuclear forensics tool. Despite widespread interest, there currently is no on-line or field-able measurement system available for low-level quantification of uranium in aqueous solutions. A recent development in environmental sensing is a portable, flow cell detector that utilizes extractive scintillating (ES) resin. The ES resin serves the dual purpose of (1) concentrating the radionuclide of interest and (2) serving as a radiation transducer. Currently, such resins are produced by physically absorbing organic extractants and fluors into a polymer matrix. Unfortunately, this approach yields resins with poor stability as the active components leach from the resin over time. This contribution describes our work to increase resin stability by synthesizing ES resin in which the active components are bound covalently within the polymer matrix. The extraction and fluorescence properties of the resin were studied separately before the resin was applied in flow cell detector where detection efficiencies of 40% were achieved

CVM studies on the atomic ordering in complex perovskite alloys

The atomic ordering in complex perovskite alloys is investigated by the cluster variation method (CVM). For the 1/3\{111\}-type ordered structure, the order-disorder phase transition is the first order, and the order parameter of the 1:2 complex perovskite reaches its maximum near x=0.25. For the 1/2\{111\}-type ordered structure, the ordering transition is the second order. Phase diagrams for both ordered structures are obtained. The order-disorder line obeys the linear law.Comment: 10 pages, 6 figure

Electrostatic model of atomic ordering in complex perovskite alloys

We present a simple ionic model which successfully reproduces the various types of compositional long-range order observed in a large class of complex insulating perovskite alloys. The model assumes that the driving mechanism responsible for the ordering is simply the electrostatic interaction between the different ionic species. A possible new explanation for the anomalous long-range order observed in some Pb relaxor alloys, involving the proposed existence of a small amount of Pb^4+ on the B sublattice, is suggested by an analysis of the model.Comment: 4 pages, two-column style with 1 postscript figure embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#lb_orde

The 2015 edition of the GEISA spectroscopic database

The GEISA database (Gestion et Etude des Informations Spectroscopiques Atmospheriques: Management and Study of Atmospheric Spectroscopic Information) has been developed and maintained by the ARA/ABC(t) group at LMD since 1974. GEISA is constantly evolving, taking into account the best available spectroscopic data. This paper presents the 2015 release of GEISA (GEISA-2015), which updates the last edition of 2011 and celebrates the 40th anniversary of the database. Significant updates and additions have been implemented in the three following independent databases of GEISA. The line parameters database contains 52 molecular species (118 isotopologues) and transitions in the spectral range from 10(-6) to 35,877.031 cm(-1), representing 5,067,351 entries, against 3,794,297 in GEISA-2011. Among the previously existing molecules, 20 molecular species have been updated. A new molecule (SO3) has been added. HDO, isotopologue of H2O, is now identified as an independent molecular species. Seven new isotopologues have been added to the GEISA-2015 database. The cross section sub-database has been enriched by the addition of 43 new molecular species in its infrared part, 4 molecules (ethane, propane, acetone, acetonitrile) are also updated; they represent 3% of the update. A new section is added, in the near-infrared spectral region, involving 7 molecular species: CH3CN, CH3I, CH3O2, H2CO, HO2, HONO, NH3. The microphysical and optical properties of atmospheric aerosols sub-database has been updated for the first time since 2003. It contains more than 40 species originating from NCAR and 20 from the ARIA archive of Oxford University. As for the previous versions, this new release of GEISA and associated management software facilities are implemented and freely accessible on the AERIS/ESPRI atmospheric chemistry data center website. (C) 2016 Elsevier Inc. All rights reserved

Synthesising, using, and correcting for telluric features in high-resolution astronomical spectra

We present a technique to synthesise telluric absorption and emission features both for in-situ wavelength calibration and for their removal from astronomical spectra. While the presented technique is applicable for a wide variety of optical and infrared spectra, we concentrate in this paper on selected high-resolution near-infrared spectra obtained with the CRIRES spectrograph to demonstrate its performance and limitation. We find that synthetic spectra reproduce telluric absorption features to about 2%, even close to saturated line cores. Thus, synthetic telluric spectra could be used to replace the observation of telluric standard stars, saving valuable observing time. This technique also provides a precise in-situ wavelength calibration, especially useful for high-resolution near-infrared spectra in the absence of other calibration sources.Comment: 11 pages, 11 figures, accepted for publication in A&A (updated version

Development of a model of focal pneumococcal pneumonia in young rats

BACKGROUND: A recently licensed pneumococcal conjugate vaccine has been shown to be highly effective in the prevention of bacteremia in immunized children but the degree of protection against pneumonia has been difficult to determine. METHODS: We sought to develop a model of Streptococcus pneumoniae pneumonia in Sprague-Dawley rats. We challenged three-week old Sprague-Dawley pups via intrapulmonary injection of S. pneumoniae serotypes 3 and 6B. Outcomes included bacteremia, mortality as well histologic sections of the lungs. RESULTS: Pneumonia was reliably produced in animals receiving either 10 or 100 cfu of type 3 pneumococci, with 30% and 50% mortality respectively. Similarly, with type 6B, the likelihood of pneumonia increased with the inoculum, as did the mortality rate. Prophylactic administration of a preparation of high-titered anticapsular antibody prevented the development of type 3 pneumonia and death. CONCLUSION: We propose that this model may be useful for the evaluation of vaccines for the prevention of pneumococcal pneumonia

Defining the user role in infection control

Health policy initiatives continue to recognize the valuable role of patients and the public in improving safety, advocating the availability of information as well as involvement at the point of care. In infection control, there is a limited understanding of how users interpret the plethora of publicly available information about hospital performance, and little evidence to support strategies that include reminding healthcare staff to adhere to hand hygiene practices

Clinical trials in desmoid-type fibromatosis in children and adults:A systematic review

Desmoid-type fibromatosis (DTF) is a rare locally aggressive soft tissue neoplasm, which occurs in children and adults, with a peak incidence in young adults. For the majority of the patients, DTF is a chronic and symptomatic disease, which affects health-related quality of life. Systemic treatment regimens tend to differ for patients treated by pediatric oncologists compared to medical oncologists. This systematic review identified 14 clinical trials in children and adults with DTF. Tumor response and progression-free survival rates varied widely between studies and study populations. Treatment choices for patients with DTF are based on a paucity of (randomized) trials. Treatment principles of DTF are similar in pediatric and adult oncology, but the treatment itself is different. This seems mostly driven by a lack of tyrosine kinase inhibitor (TKI) accessibility in pediatric oncology. An insufficient number of studies examined patient-reported outcomes, which are extremely important for patients with a chronic disease like DTF.</p