First principles phase diagram calculations for the wurtzite-structure systems AlN–GaN, GaN–InN, and AlN–InN

First principles phase diagram calculations were performed for the wurtzite-structure quasibinary systems AlN–GaN, GaN–InN, and AlN–InN. Cluster expansion Hamiltonians that excluded, and included, excess vibrational contributions to the free energy, Fvib, were evaluated. Miscibility gaps are predicted for all three quasibinaries, with consolute points, (XC,TC), for AlN–GaN, GaN–InN, and AlN–InN equal to (0.50, 305 K), (0.50, 1850 K), and (0.50, 2830 K) without Fvib, and (0.40, 247 K), (0.50, 1620 K), and (0.50, 2600 K) with Fvib, respectively. In spite of the very different ionic radii of Al, Ga, and In, the GaN–InN and AlN–GaN diagrams are predicted to be approximately symmetric

First-principles phase diagram calculations for the HfC–TiC, ZrC–TiC, and HfC–ZrC solid solutions

We report first-principles phase diagram calculations for the binary systems HfC–TiC, TiC–ZrC, and HfC–ZrC. Formation energies for superstructures of various bulk compositions were computed with a plane-wave pseudopotential method. They in turn were used as a basis for fitting cluster expansion Hamiltonians, both with and without approximations for excess vibrational free energies. Significant miscibility gaps are predicted for the systems TiC–ZrC and HfC–TiC, with consolute temperatures in excess of 2000 K. The HfC–ZrC system is predicted to be completely miscibile down to 185 K. Reductions in consolute temperature due to excess vibrational free energy are estimated to be ~7%, ~20%, and ~0%, for HfC–TiC, TiC–ZrC, and HfC–ZrC, respectively. Predicted miscibility gaps are symmetric for HfC–ZrC, almost symmetric for HfC–TiC and asymmetric for TiC–ZrC

Effects of Vacancies on Properties of Relaxor Ferroelectrics: a First-Principles Study

A first-principles-based model is developed to investigate the influence of lead vacancies on the properties of relaxor ferroelectric Pb(Sc1/2Nb1/2)O3 (PSN). Lead vacancies generate large, inhomogeneous, electric fields that reduce barriers between energy minima for different polarization directions. This naturally explains why relaxors with significant lead vacancy concentrations have broadened dielectric peaks at lower temperatures, and why lead vacancies smear properties in the neighborhood of the ferroelectric transition in PSN. We also reconsider the conventional wisdom that lead vacancies reduce the magnitude of dielectric response.Comment: 11 pages, 1 figur

3D MHD Modeling of the Gaseous Structure of the Galaxy: Synthetic Observations

We generated synthetic observations from the four-arm model presented in Gomez & Cox (2004) for the Galactic ISM in the presence of a spiral gravitational perturbation. We found that velocity crowding and diffusion have a strong effect in the l-v diagram. The v-b diagram presents structures at the expected spiral arm velocities, that can be explained by the off-the-plane structure of the arms presented in previous papers of this series. Such structures are observed in the Leiden/Dwingeloo HI survey. The rotation curve, as measured from the inside of the modeled galaxy, shows similarities with the observed one for the Milky Way Galaxy, although it has large deviations from the smooth circular rotation corresponding to the background potential. The magnetic field inferred from a synthetic synchrotron map shows a largely circular structure, but with interesting deviations in the midplane due to distortion of the field from circularity in the interarm regions.Comment: Accepted for publication in ApJ. Better quality figures in http://www.astro.umd.edu/~gomez/publica/3d_galaxy-3.pd

EuroSpine Task Force on Research: support for spine researchers

In recognition of the value of research to the practice of spine care, Federico Balagué and Ferran Pellisé, at the time President and Secretary for EuroSpine, asked Margareta Nordin to set up a Task Force on Research (TFR) for EuroSpine during summer 2011. The concept was to stimulate and facilitate a research community within the society, through two main functions: (1) distribution of EuroSpine funds to researchers; (2) develop and deliver research training/education courses. What has the EuroSpine TFR accomplished since its inception

Functional somatic disorders: discussion paper for a new common classification for research and clinical use

Background Functional somatic symptoms and disorders are common and complex phenomena involving both bodily and brain processes. They pose major challenges across medical specialties. These disorders are common and have significant impacts on patients’ quality of life and healthcare costs. Main body We outline five problems pointing to the need for a new classification: (1) developments in understanding aetiological mechanisms; (2) the current division of disorders according to the treating specialist; (3) failure of current classifications to cover the variety of disorders and their severity (for example, patients with symptoms from multiple organs systems); (4) the need to find acceptable categories and labels for patients that promote therapeutic partnership; and (5) the need to develop clinical services and research for people with severe disorders. We propose ‘functional somatic disorders’ (FSD) as an umbrella term for various conditions characterised by persistent and troublesome physical symptoms. FSDs are diagnosed clinically, on the basis of characteristic symptom patterns. As with all diagnoses, a diagnosis of FSD should be made after considering other possible somatic and mental differential diagnoses. We propose that FSD should occupy a neutral space within disease classifications, favouring neither somatic disease aetiology, nor mental disorder. FSD should be subclassified as (a) multisystem, (b) single system, or (c) single symptom. While additional specifiers may be added to take account of psychological features or co-occurring diseases, neither of these is sufficient or necessary to make the diagnosis. We recommend that FSD criteria are written so as to harmonise with existing syndrome diagnoses. Where currently defined syndromes fall within the FSD spectrum – and also within organ system-specific chapters of a classification – they should be afforded dual parentage (for example, irritable bowel syndrome can belong to both gastrointestinal disorders and FSD). Conclusion We propose a new classification, ‘functional somatic disorder’, which is neither purely somatic nor purely mental, but occupies a neutral space between these two historical poles. This classification reflects both emerging aetiological evidence of the complex interactions between brain and body and the need to resolve the historical split between somatic and mental disorders

A search for soft X-ray emission associated with prominent high-velocity-cloud complexes

We correlate the ROSAT 1/4 keV all-sky survey with the Leiden/Dwingeloo HI survey, looking for soft X-ray signatures of prominent high-velocity-cloud (HVC) complexes. We study the transfer of 1/4 keV photons through the interstellar medium in order to distinguish variations in the soft X-ray background (SXRB) intensity caused by photoelectric absorption effects from those due to excess X-ray emission. The X-ray data are modelled as a combination of emission from the Local Hot Bubble (LHB) and emission from a distant plasma in the galactic halo and extragalactic sources. The X-ray radiation intensity of the galactic halo and extragalactic X-ray background is modulated by the photoelectric absorption of the intervening galactic interstellar matter. We show that large- and small-scale intensity variations of the 1/4 keV SXRB are caused by photoelectric absorption which is predominantly traced by the total N(HI) distribution. The extensive coverage of the two surveys supports evidence for a hot, X-ray emitting corona. We show that this leads to a good representation of the SXRB observations. For four large areas on the sky, we search for regions where the modelled and observed X-ray emission differ. We find that there is excess X-ray emission towards regions near HVC complexes C, D, and GCN. We suggest that the excess X-ray emission is positionally correlated with the high-velocity clouds. Some lines of sight towards HVCs also pass through significant amounts of intermediate-velocity gas, so we cannot constrain the possible role played by IVC gas in these directions of HVC and IVC overlap, in determining the X-ray excesses.Comment: 16 pages, 8 figures, accepted for publication in Astronomy & Astrophysics main journa