O adsorption and incipient oxidation of the Mg(0001) surface

First principles density functional calculations are used to study the early oxidation stages of the Mg(0001) surface for oxygen coverages 1/16 <= Theta <= 3 monolayers. It is found that at very low coverages O is incorporated below the topmost Mg layer in tetrahedral sites. At higher oxygen-load the binding in on-surface sites is increased but at one monolayer coverage the on-surface binding is still about 60 meV weaker than for subsurface sites. The subsurface octahedral sites are found to be unfavorable compared to subsurface tetrahedral sites and to on-surface sites. At higher coverages oxygen adsorbs both under the surface and up. Our calculations predict island formation and clustering of incorporated and adsorbed oxygen in agreement with previous calculations. The calculated configurations are compared with the angle-scanned x-ray photoelectron diffraction experiment to determine the geometrical structure of the oxidized Mg(0001) surface.Comment: 10 pages, 5 figure

Electronic charge and orbital reconstruction at cuprate-titanate interfaces

In complex transition metal oxide heterostructures of physically dissimilar perovskite compounds, interface phenomena can lead to novel physical properties not observed in either of their constituents. This remarkable feature opens new prospects for technological applications in oxide electronic devices based on nm-thin oxide films. Here we report on a significant electronic charge and orbital reconstruction at interfaces between YBa2Cu3O6 and SrTiO3 studied using local spin density approximation (LSDA) with intra-atomic Coulomb repulsion (LSDA+U). We show that the interface polarity results in the metallicity of cuprate-titanate superlattices with the hole carriers concentrated predominantly in the CuO2 and BaO layers and in the first interface TiO2 and SrO planes. We also find that the interface structural relaxation causes a strong change of orbital occupation of Cu 3d orbitals in the CuO2 layers. The concomitant change of Cu valency from +2 to +3 is related to the partial occupation of the Cu $3d_{3z^2-r^2}$ orbitals at the interface with SrO planes terminating SrTiO3. Interface-induced predoping and orbital reconstruction in CuO2 layers are key mechanisms which control the superconducting properties of field-effect devices developed on the basis of cuprate-titanate heterostructures.Comment: 11 pages, 8 figures, to appear in the "Proceedings of Third Joint HLRB and KONWIHR Result and Reviewing Workshop", Springer 200

Differential characterization of emerging skin diseases of rainbow trout

Farmed and wild salmonids are affected by a variety of skin conditions, some of which have significant economic and welfare implications. In many cases, the causes are not well understood, and one example is cold water strawberry disease of rainbow trout, also called red mark syndrome, which has been recorded in the UK since 2003. To date, there are no internationally agreed methods for describing these conditions, which has caused confusion for farmers and health professionals, who are often unclear as to whether they are dealing with a new or a previously described condition. This has resulted, inevitably, in delays to both accurate diagnosis and effective treatment regimes. Here, we provide a standardized methodology for the description of skin conditions of rainbow trout of uncertain aetiology. We demonstrate how the approach can be used to develop case definitions, using coldwater strawberry disease as an example

Generating action and responding to local issues: Collective efficacy in context

Recent research suggests that communities can be collectively efficacious without dense networks and kith and kinship relations. Yet few studies examine how collective efficacy is generated and sustained in the absence of close social ties. Using in-depth interviews with local residents and key stakeholders in two collectively efficacious suburbs in Brisbane, Australia, this study explores the role of social ties and networks in shaping residents' sense of active engagement and perceptions of community capacity. Results suggest that strong social bonds among residents are not necessary for the development of social cohesion and informal social control. Instead, collective representations or symbols of ‘community’ provide residents with a sense of social cohesion, trust and a perceived willingness of others to respond to problems of crime and disorder. Yet there is limited evidence that these collectively efficacious communities comprise actively engaged residents. In both communities, participants report a strong reliance on key institutions and organisations to manage and respond to a variety of problems, from neighbourhood nuisances to crime and disorder. These findings suggest a more a nuanced understanding of collective efficacy theory is needed

Prediction of enteric methane production and yield in dairy cattle using a Latin America and Caribbean database

Enteric methane (CH4) from ruminants is the major driver of global warming and climate change. Successful mitigation efforts entail accurate estimation of on-farm emission and prediction models can be an alternative to current laborious and costly in vivo CH4 measurement techniques. This study aimed to: (1) collate a database of individual dairy cattle CH4 emission data from studies conducted in the Latin America and Caribbean (LAC) region; (2) identify key variables for predicting CH4 production (g d−1) and yield [g kg−1 of dry matter intake (DMI)]; (3) develop and cross-validate these newly-developed models; and (4) compare models' predictive ability with equations currently used to support national greenhouse gas (GHG) inventories. A total of 42 studies including 1327 individual dairy cattle records were collated. After removing outliers, the final database retained 34 studies and 610 animal records. Production and yield of CH4 were predicted by fitting mixed-effects models with a random effect of study. Evaluation of developed models and fourteen extant equations was assessed on all-data, confined, and grazing cows subsets. Feed intake was the most important predictor of CH4 production. Our best-developed CH4 production models outperformed Tier 2 equations from the Intergovernmental Panel on Climate Change (IPCC) in the all-data and grazing subsets, whereas they had similar performance for confined animals. Developed CH4 production models that include milk yield can be accurate and useful when feed intake is missing. Some extant equations had similar predictive performance to our best-developed models and can be an option for predicting CH4 production from LAC dairy cows. Extant equations were not accurate in predicting CH4 yield. The use of the newly-developed models rather than extant equations based on energy conversion factors, as applied by the IPCC, can substantially improve the accuracy of GHG inventories in LAC countries