Comparison of Global and Local Adaptive Coordinates for Density Functional Calculations

A globally-adaptive curvilinear coordinate formalism is shown to be easily convertible to a class of curvilinear transformations locally optimized around atom sites by a few parameters. Parameter transferability is established for a demanding test case, and the results of the two methods are shown to be comparable. Computational efficiencies realized in the local method are discussed.Comment: 21 pages, 4 figure

fMRI Evidence for Modality-Specific Processing of Conceptual Knowledge on Six Modalities

Traditional theories assume that amodal representations, such as feature lists and semantic networks, represent conceptual knowledge about the world. According to this view, the sensory, motor, and introspective states that arise during perception and action are irrelevant to representing knowledge. Instead the conceptual system lies outside modality-specific systems and operates according to different principles. Increasingly, however, researchers report that modality-specific systems become active during purely conceptual tasks, suggesting that these systems play central roles in representing knowledge (for a review, see Martin, 2001, Handbook of Functional Neuroimaging of Cognition). In particular, researchers report that the visual system becomes active while processing visual properties, and that the motor system becomes active while processing action properties. The present study corroborates and extends these findings. During fMRI, subjects verified whether or not properties could potentially be true of concepts (e.g., BLENDER-loud). Subjects received only linguistic stimuli, and nothing was said about using imagery. Highly related false properties were used on false trials to block word association strategies (e.g., BUFFALOwinged). To assess the full extent of the modality-specific hypothesis, properties were verified on each of six modalities. Examples include GEMSTONE-glittering (vision), BLENDER-loud (audition), FAUCET-turned (motor), MARBLE-cool (touch), CUCUMBER-bland (taste), and SOAP-perfumed (smell). Neural activity during property verification was compared to a lexical decision baseline. For all six sets of the modalityspecific properties, significant activation was observed in the respective neural system. Finding modality-specific processing across six modalities contributes to the growing conclusion that knowledge is grounded in modality-specific systems of the brain

Wolf-Rayet stars in the Small Magellanic Cloud: I. Analysis of the single WN stars

Wolf-Rayet (WR) stars have a severe impact on their environments owing to their strong ionizing radiation fields and powerful stellar winds. Since these winds are considered to be driven by radiation pressure, it is theoretically expected that the degree of the wind mass-loss depends on the initial metallicity of WR stars. Following our comprehensive studies of WR stars in the Milky Way, M31, and the LMC, we derive stellar parameters and mass-loss rates for all seven putatively single WN stars known in the SMC. Based on these data, we discuss the impact of a low-metallicity environment on the mass loss and evolution of WR stars. The quantitative analysis of the WN stars is performed with the Potsdam Wolf-Rayet (PoWR) model atmosphere code. The physical properties of our program stars are obtained from fitting synthetic spectra to multi-band observations. In all SMC WN stars, a considerable surface hydrogen abundance is detectable. The majority of these objects have stellar temperatures exceeding 75 kK, while their luminosities range from 10^5.5 to 10^6.1 Lsun. The WN stars in the SMC exhibit on average lower mass-loss rates and weaker winds than their counterparts in the Milky Way, M31, and the LMC. By comparing the mass-loss rates derived for WN stars in different Local Group galaxies, we conclude that a clear dependence of the wind mass-loss on the initial metallicity is evident, supporting the current paradigm that WR winds are driven by radiation. A metallicity effect on the evolution of massive stars is obvious from the HRD positions of the SMC WN stars at high temperatures and high luminosities. Standard evolution tracks are not able to reproduce these parameters and the observed surface hydrogen abundances. Homogeneous evolution might provide a better explanation for their evolutionary past.Comment: 18+12 pages; 22+8 figures; accepted for publication in A&

Towards a Model for the Progenitors of Gamma-Ray Bursts

We consider models for gamma-ray bursts in which a collimated jet expands either into a homogeneous medium or into a stellar wind environment, and calculate the expected afterglow temporal behavior. We show that (i) following a break and a faster decay, afterglows should exhibit a flattening, which may be detectable in both the radio and optical bands; (ii) Only observations at times much shorter than a day can clearly distinguish between a fireball interacting with a homogeneous medium and one interacting with a stellar wind. Using our results we demonstrate that constraints can be placed on progenitor models. In particular, existing data imply that while some long duration bursts may be produced by collapses of massive stars, it is almost certain that not all long duration bursts are produced by such progenitors.Comment: 13 pages; Submitted to Ap

Systematic treatment of displacements, strains and electric fields in density-functional perturbation theory

The methods of density-functional perturbation theory may be used to calculate various physical response properties of insulating crystals including elastic, dielectric, Born charge, and piezoelectric tensors. These and other important tensors may be defined as second derivatives of the total energy with respect to atomic-displacement, electric-field, or strain perturbations, or as mixed derivatives with respect to two of these perturbations. The resulting tensor quantities tend to be coupled in complex ways in polar crystals, giving rise to a variety of variant definitions. For example, it is generally necessary to distinguish between elastic tensors defined under different electrostatic boundary conditions, and between dielectric tensors defined under different elastic boundary conditions. Here, we describe an approach for computing all of these various response tensors in a unified and systematic fashion. Applications are presented for two materials, wurtzite ZnO and rhombohedral BaTiO3, at zero temperature.Comment: 14 pages. Uses REVTEX macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/xfw_sys/index.htm