Identifying the trend of reactivity for sp2 materials: an electron delocalization model from first principles calculations

The reactivity of sp² carbon materials is studied using the adsorption and dissociation of O₂ on graphene and graphene oxide as model systems. The reactions on the basal plane, zigzag and armchair edges of graphene and graphene oxide with different oxygen-containing groups are calculated using first principles calculations. Two Brønsted-Evans- Polanyi relationships are identified and an electron delocalization model is suggested to understand the general trend of reactivity for sp² carbon materials.

HOLOGRAPHIC IMAGES OF IODINE ATOMS ON A SILVER SURFACE FROM ELECTRON-EMISSION PATTERNS

BARTON 1 has suggested that photoelectron interference patterns may be used directly as holograms to obtain atomic-resolution images of surface structures. Bulk structures have been obtained previously by this means from experimental patterns of high-energy Kikuchi(quasi-elastically scattered) and Auger electrons 2,3. Here we test the feasibility of this technique for determination of surface structures using Auger intensity patterns obtained 4,5 from iodine chemisorbed on a pseudomorphic silver monolayer on Pt{111}. By direct numerical holographic inversion, we obtain three-dimensional images which show that iodine adatoms are located in hollows of 3-fold symmetry on the surface. The images yield the site symmetry with good atomic resolution in the surface plane, but suffer from poor resolution along the Ag-I axis. We anticipate that data with better angular resolution obtained at low temperatures would improve the spatial resolution of such images.

Activism and Restraint within the UK Supreme Court

This article provides evidence for the extent to which the UK Supreme Court as a body - and Supreme Court Justices as individuals - have displayed an activist or restrained attitude to their decision-making role. Taking October 2009 as the starting point (when the UKSC came into existence) the article surveys the degree to which the Court and individual Justices have (1) departed from precedents, (2) interpreted legislation in unanticipated ways, (3) rejected the government's position on matters of social, economic or foreign policy, and (4) developed the common law. The article concludes that, while the Supreme Court as a whole remains as conservative as the Appellate Committee of the House of Lords which preceded it (with the possible exception of its approach to immigration law), there are notable differences between the attitudes of individual Justices, one or two of whom appear to be straining at the leash.

The complex ion structure of warm dense carbon measured by spectrally resolved x-ray scattering

We present measurements of the complex ion structure of warm dense carbon close to the melting line at pressures around 100 GPa. High-pressure samples were created by laser-driven shock compression of graphite and probed by intense laser-generated x-ray sources with photon energies of 4.75 keV and 4.95 keV. High-efficiency crystal spectrometers allow for spectrally resolving the scattered radiation. Comparing the ratio of elastically and inelastically scattered radiation, we find evidence for a complex bonded liquid that is predicted by ab-initio quantum simulations showing the influence of chemical bonds under these conditions. Using graphite samples of different initial densities we demonstrate the capability of spectrally resolved x-ray scattering to monitor the carbon solid-liquid transition at relatively constant pressure of 150 GPa. Showing first single-pulse scattering spectra from cold graphite of unprecedented quality recorded at the Linac Coherent Light Source, we demonstrate the outstanding possibilities for future high-precision measurements at 4th Generation Light Sources.

Small molecular logic systems can draw the outlines of objects via edge visualization

The recently-discovered ability of small logical molecules to recognize edges is exploited to achieve outline drawing from binary templates. Outlines of arbitrary curvature, several colours and thicknesses down to 1 mm are drawn in around 30 min or less by employing a common laboratory two-colour ultraviolet lamp. The outlines and the light dose-driven XOR logic with fluorescence output or ‘off-on-off’ action which is observed in the irradiated regions are modelled by combining foundational principles of photochemistry, acid-base neutralization and diffusion.

Experimental and Numerical Benchmarking of an Improved Impeller Meanline Modelling Method for Automotive Turbocharger Centrifugal Compressors

After the development of a new single-zone meanline modelling technique, benchmarking of the technique and the modelling methods used during its development are presented. The new meanline model had been developed using the results of three automotive turbocharger centrifugal compressors, and single passage CFD models based on their geometry.

The target of the current study was to test the new meanline modelling method on two new centrifugal compressor stages, again from the automotive turbocharger variety. Furthermore the single passage CFD modelling method used in the previous study would be again employed here and also benchmarked.

The benchmarking was twofold; firstly test the overall performance prediction accuracy of the single-zone meanline model. Secondly, test the detailed performance estimation of the CFD model using detailed interstage static pressure tappings.

The final component of this study exposed the weaknesses in the current modelling methods used (explicitly during this study). The non-axisymmetric flow field at the leading and trailing edges for the two compressors was measured and is presented here for the complete compressor map, highlighting the distortion relative to the tongue.

Liminal Lines:work for euphonium and live electronics

This is the first in series of works that explores the edges of musical styles, in particular the musical language associated with the brass band traditions and the relationship between this performance genre and the work of experimental electronic composition.

FRP reinforcement of timber structures

Timber engineering has advanced over recent decades to offer an alternative to traditional materials and methods. The bonding of fibre reinforced plastics (FRP) with adhesives to timber structures for repair and strengthening has many advantages. However, the lack of established design rules has strongly restrained the use of FRP strengthening in many situations, where these could be a preferable option to most traditional techniques. A significant body of research has been carried out in recent years on the performance of FRP reinforced timber and engineered wood products. This paper gives a State of the Art summary of material formulations, application areas, design approaches and quality control issues for practical engineers to introduce on-site bonding of FRP to timber as a new way in design for structural repair and rehabilitation.

Fluorescent Logic Systems for Sensing and Molecular Computation: Structure-Activity Relationships in Edge-Detection

Molecular logic-based computation continues to throw up new applications in sensing and switching, the newest of which is the edge detection of objects. The scope of this phenomenon is mapped out by the use of structure-activity relationships, where several structures of the molecules and of the objects are examined. The different angles and curvatures of the objects are followed with good-fidelity in the visualized edges, even when the objects are in reverse video.

Einfamilienhaus bei Ramelton

The large scale horizontally mounted fibre cement panels follow an orthogonal grid, albeit with only two right angles, one each on the building's longitudinal east and west elevations above the car port. The remaining façade edges describe rising and declining lines. it goes without saying that the structural details of this purist house have been meticulously executed. It is simply complete, lacking nothing and without anything further required.

Generating Realistic Labelled, Weighted Random Graphs

Generative algorithms for random graphs have yielded insights into the structure and evolution of real-world networks. Most networks exhibit a well-known set of properties, such as heavy-tailed degree distributions, clustering and community formation. Usually, random graph models consider only structural information, but many real-world networks also have labelled vertices and weighted edges. In this paper, we present a generative model for random graphs with discrete vertex labels and numeric edge weights. The weights are represented as a set of Beta Mixture Models (BMMs) with an arbitrary number of mixtures, which are learned from real-world networks. We propose a Bayesian Variational Inference (VI) approach, which yields an accurate estimation while keeping computation times tractable. We compare our approach to state-of-the-art random labelled graph generators and an earlier approach based on Gaussian Mixture Models (GMMs). Our results allow us to draw conclusions about the contribution of vertex labels and edge weights to graph structure.

Factors predicting the portion size and perceived fillingness of evening meals in Danish and Iris households

Purpose:
This study explored how meal-related variables, socio-demographics and psychological predispositions affect the portion
size and perceived fillingness of an evening meal in Danish and Irish households.
Methods:
Using survey data collected in 2115 respondents from Denmark (DK) and the Island of Ireland (IOI), we compared four
sets of predictors of the portion size chosen for four evening meals (i.e. pizza/soup/chicken salad/pork meal): Biological
variables (hunger, thirst), socio-demographic variables (gender, age, BMI); psychological predispositions (cognitive
restraint, uncontrolled eating, emotional eating, general health interest) and meal-related variables (expected fillingness,
perceived healthiness, liking, frequency of consumption). We also compared five sets of predictors (the previous
four plus portion size) of perceived portion fillingness.
Results:
Portion size selections were associated mainly with demographic variables (gender, BMI) and psychological predispositions
(cognitive restraint, uncontrolled eating). In addition, only liking and sometimes expected healthiness (mealrelated
variables) appeared as drivers. Conversely, perceived portion fillingness was mostly influenced by the selected
portion size as well as expected fillingness and liking. There were some differences between meals; e.g. GHI not a
predictor for Pizza but a predictor for Chicken salad. Also some country differences were observed; emotional eating
predicted portion selection in the IOI but not DK.
Conclusions:
When making portion size selections at home, psychological predispositions, restrained and uncontrolled eating as well
as meal-related variables, liking and healthiness explained the decisions. However, surprisingly, individuals’ expected
fillingness of a food did not influence their portion size selection but was a driver of fillingness of the selected portion.

Compact Routing Messages in Self-Healing Trees

Existing compact routing schemes, e.g., Thorup and Zwick [SPAA 2001] and Chechik [PODC 2013], often have no means to tolerate failures, once the system has been setup and started. This paper presents, to our knowledge, the first self-healing compact routing scheme. Besides, our schemes are developed for low memory nodes, i.e., nodes need only O(log2 n) memory, and are thus, compact schemes.
We introduce two algorithms of independent interest: The first is CompactFT, a novel compact version (using only O(log n) local memory) of the self-healing algorithm Forgiving Tree of Hayes et al. [PODC 2008]. The second algorithm (CompactFTZ) combines CompactFT with Thorup-Zwick’s treebased compact routing scheme [SPAA 2001] to produce a fully compact self-healing routing scheme. In the self-healing model, the adversary deletes nodes one at a time with the affected nodes self-healing locally by adding few edges. CompactFT recovers from each attack in only O(1) time and ∆ messages, with only +3 degree increase and O(log∆) graph diameter increase, over any sequence of deletions (∆ is the initial maximum degree).
Additionally, CompactFTZ guarantees delivery of a packet sent from sender s as long as the receiver has not been deleted, with only an additional O(y log ∆) latency, where y is the number of nodes that have been deleted on the path between s and t. If t has been deleted, s gets informed and the packet removed from the network.

Efficient edge domination in regular graphs

An induced matching of a graph G is a matching having no two edges joined by an edge. An efficient edge dominating set of G is an induced matching M such that every other edge of G is adjacent to some edge in M. We relate maximum induced matchings and efficient edge dominating sets, showing that efficient edge dominating sets are maximum induced matchings, and that maximum induced matchings on regular graphs with efficient edge dominating sets are efficient edge dominating sets. A necessary condition for the existence of efficient edge dominating sets in terms of spectra of graphs is established. We also prove that, for arbitrary fixed p ≥ 3, deciding on the existence of efficient edge dominating sets on p-regular graphs is NP-complete. © 2008 Elsevier B.V. All rights reserved.

Ecogeography of roe deer: relation with other ungulates in sympatry

Understanding the spatial distribution of organisms is a central topic in ecology. The European roe deer (Capreolus capreolus) population is in Portugal and Norway at the southwestern and northern edge of its distribution, respectively. Understanding the factors that act on these populations enlightens both local aspects concerning their conservation and wider scale aspects of the species bioclimatic envelope, which is crucial for being better able to predict the impacts of environmental change. The main aim of this thesis was to evaluate roe deer distribution in Portugal and Norway, two countries with contrasting landscapes, seasonality and with different anthropogenic pressure. The interspecific relationship with sympatric ungulates was also analysed. By using pellet group counts, we investigated habitat use of roe deer, identifying the major environmental descriptors, to understand the importance of forest structure, vegetation characteristics, landscape structure and human disturbance on their distribution. The analyses were based on presence – absence data and were carried out at two spatial scales. The results showed that habitat use of roe deer was different across countries. In Portugal, at the local scale, roe deer distribution was positively associated with high density of shrubs, especially heather and brambles, while the presence of red deer had a negative effect on their distribution. At a broad scale, roe deer was negatively associated with spatial heterogeneity, namely mean shape index and made less use of areas close to agricultural fields. In Norway, at the local scale, roe deer made more use of areas with high cover of deciduous trees and patches containing juniper and Vaccinium sp.. At a broad scale, roe deer use patches near edges between fields and forest. In both countries, roe deer make use of areas further away from roads. While in Norway roe deer in both summer and winter are always close to houses, in Portugal they are either far (summer) or indifferent (winter). Anthropogenic disturbance is better tolerated in Norway, where the importance of the critical season seems to be higher. Human disturbance may contribute to roe deer habitat loss in Portugal, while roe deer are able to persist close to humans in managed landscapes in Norway. In fact, some of the differences observed could be more due to the indirect impacts of human exploitation (e.g. presence of free-ranging dogs and hunting regulation) rather than the actual human presence or land-use per se. I conclude that the methodology and tools developed here are readily expandable to address similar questions in different contexts. Wildlife management would benefit greatly from a more holistic/integrative approach and that should include human aspects, as human disturbance is expected to continue increasing.