CO adsorption on (111) and (100) surfaces of the Pt sub 3 Ti alloy. Evidence for parallel binding and strong activation of CO

The CO adsorption on a 40 atom cluster model of the (111) surface and a 36 atom cluster model of the (100) surface of the Pt3Ti alloy was studied. Parallel binding to high coordinate sites associated with Ti and low CO bond scission barriers are predicted for both surfaces. The binding of CO to Pt sites occurs in an upright orientation. These orientations are a consequence of the nature of the CO pi donation interactions with the surface. On the Ti sites the orbitals donate to the nearly empty Ti 3d band and the antibonding counterpart orbitals are empty. On the Pt sites, however, they are in the filled Pt 5d region of the alloy band, which causes CO to bond in a vertical orientation by 5 delta donation from the carbon end

The coming robot crime wave

Rapid advances in robotics technology for the battlefield and policing could promote a new breed of copycat "garden shed" robot criminals

Inference of epidemiological parameters from household stratified data

We consider a continuous-time Markov chain model of SIR disease dynamics with two levels of mixing. For this so-called stochastic households model, we provide two methods for inferring the model parameters---governing within-household transmission, recovery, and between-household transmission---from data of the day upon which each individual became infectious and the household in which each infection occurred, as would be available from first few hundred studies. Each method is a form of Bayesian Markov Chain Monte Carlo that allows us to calculate a joint posterior distribution for all parameters and hence the household reproduction number and the early growth rate of the epidemic. The first method performs exact Bayesian inference using a standard data-augmentation approach; the second performs approximate Bayesian inference based on a likelihood approximation derived from branching processes. These methods are compared for computational efficiency and posteriors from each are compared. The branching process is shown to be an excellent approximation and remains computationally efficient as the amount of data is increased

H{\alpha} Imaging of Nearby Seyfert Host Galaxies

We used narrowband interference filters with the CCD imaging camera on the Nickel 1.0 meter telescope at Lick Observatory to observe 31 nearby (z < 0.03) Seyfert galaxies in the 12 {\mu}m Active Galaxy Sample. We obtained pure emission line images of each galaxy in order to separate H{\alpha} emission from the nucleus from that of the host galaxy. The extended H{\alpha} emission is expected to be powered by newly formed hot stars, and correlates well with other indicators of current star formation in these galaxies: 7.7 {\mu}m PAH, far-infrared, and radio luminosity. Relative to what would be expected from recent star formation, there is a 0.8 dex excess of radio emission in our Seyfert galaxies. The nuclear H{\alpha} luminosity is dominated by the AGN, and is correlated with the hard X-ray luminosity. There is an upward offset of 1 dex in this correlation for the Seyfert 1s due to a strong contribution from the Broad Line Region. We found a correlation between star formation rate and AGN luminosity. In spite of selection effects, we concluded that the absence of bright Seyfert nuclei in galaxies with low SFRs is real, albeit only weakly significant. We used our measured spatial distributions of H{\alpha} emission to determine what these Seyfert galaxies would look like when observed through fixed apertures at high redshifts. Although all would be detectable emission line galaxies at any redshift, most would appear dominated by HII region emission. Only the most luminous AGN would still be identified at z~0.3.Comment: 13 pages, 11 figures, accepted for publication in Ap

Whirl and Stall Flutter Simulation Using CFD

This paper presents recent research on numerical methods for whirl and stall flutter using computational fluid dynamics. The method involves coupling of the HMB3 CFD solver of the University of Glasgow and a NASTRAN derived structural model. Based upon a literature survey, a significant amount of research has been conducted on the numerical investigation of tiltrotors, with a focus on the XV-15 and V-22 aircraft. Within this paper, the coupling procedure is presented along with a steady CFD computation to highlight the accuracy of the high-fidelity method. In addition to this, a simple method is used to investigate the whirl flutter boundary of a standard propeller and the XV-15 blade

Quasiharmonic elastic constants corrected for deviatoric thermal stresses

The quasiharmonic approximation (QHA), in its simplest form also called the statically constrained (SC) QHA, has been shown to be a straightforward method to compute thermoelastic properties of crystals. Recently we showed that for non-cubic solids SC-QHA calculations develop deviatoric thermal stresses at high temperatures. Relaxation of these stresses leads to a series of corrections to the free energy that may be taken to any desired order, up to self-consistency. Here we show how to correct the elastic constants obtained using the SC-QHA. We exemplify the procedure by correcting to first order the elastic constants of MgSiO$_3$-perovskite and MgSiO$_3$-post-perovskite, the major phases of the Earth's lower mantle. We show that this first order correction is quite satisfactory for obtaining the aggregated elastic averages of these minerals and their velocities in the lower mantle. This type of correction is also shown to be applicable to experimental measurements of elastic constants in situations where deviatoric stresses can develop, such as in diamond anvil cells.Comment: 4 figures, 1 table, submitted to Phys. Rev. B, July 200