Interplay of Octahedral Tilts and Polar Order in BiFeO3 Films

Heterointerface stabilization of a distinct nonpolar BiFeO3 phase occurs simultaneously with changes in octahedral tilts. The resulting phase arises via suppression of polarization by a structural order parameter and can thus be identified as anti-ferroelectric (Fe displacements - bottom panel). The phase is metastable and can be switched into a polar ferroelectric state (top panel) under an applied electric bias.

An Integrated Approach to Quantifying Groundwater and Surface Water Contributions of Stream Flow

The management of water resources in Ireland prior to the Water Framework Directive (WFD) has focussed on surface water and groundwater as separate entities. A critical element to the successful implementation of the
WFD is to improve our understanding of the interaction between the two and flow mechanisms by which groundwaters discharge to surface waters. An improved understanding of the contribution of groundwater to surface water is required for the classification of groundwater body status and the determination of groundwater quality thresholds. The results of the study will also have a wider application to many areas of the WFD.
A subcommittee of the WFD Groundwater Working Group (GWWG) has been formed to develop a methodology to estimate the groundwater contribution to Irish Rivers. The group has selected a number of analytical techniques to quantify components of stream flow in an Irish context (Master Recession Curve, Unit Hydrograph, Flood Studies Report methodologies and
hydrogeological analytical modelling). The components of stream flow that can be identified include deep groundwater, intermediate and overland. These analyses have been tested on seven pilot catchments that have a variety of hydrogeological settings and have been used to inform and constrain a mathematical model. The mathematical model used was the NAM (NedbØr-AfstrØmnings-Model) rainfall-runoff model which is a module of DHIs MIKE 11 modelling suite. The results from these pilot catchments have been used to develop a decision model based on catchment descriptors from GIS datasets for the selection of NAM parameters. The datasets used include the mapping of aquifers, vulnerability and subsoils, soils, the Digital Terrain Model, CORINE and lakes. The national coverage of the GIS datasets has allowed the extrapolation of the mathematical model to regional catchments across Ireland.

Off-Centre Localisation Performance of Ambisonics and HOA For Large and Small Loudspeaker Array Radii

Ambisonics and Higher Order Ambisonics (HOA) are scalable spatial audio techniques that attempt to present a sound scene to listeners over as large an area as possible. A localisation experiment was carried out to investigate the performance of a first and third order system at three listening positions - one in the centre and two off-centre - using a 5 m radius loudspeaker array. The results are briefly presented and compared to those of an earlier experiment on a 2.2 m loudspeaker array. In both experiments the off-centre listeners were placed such that the ratio of distance from the centre to the array radius was constant in both experiments. The test used a reverse target-pointer adjustment method to determine the error, both signed and absolute, for each combination of listening position and system. The results for both arrays were found to be very similar, suggesting that the relative amplitude of the loudspeakers, which were the same in both cases, was more dominant for localisation than the arrival time differences, which differed between array sizes.

Low alanine aminotransferase levels and higher number of cardiovascular events in people with Type 2 diabetes: analysis of the Fenofibrate Intervention and Event Lowering in Diabetes (FIELD) study.

AIMS: To determine whether alanine aminotransferase or gamma-glutamyltransferase levels, as markers of liver health and non-alcoholic fatty liver disease, might predict cardiovascular events in people with Type 2 diabetes.

METHODS: Data from the Fenofibrate Intervention and Event Lowering in Diabetes study were analysed to examine the relationship between liver enzymes and incident cardiovascular events (non-fatal myocardial infarction, stroke, coronary and other cardiovascular death, coronary or carotid revascularization) over 5 years.

RESULTS: Alanine aminotransferase level had a linear inverse relationship with the first cardiovascular event occurring in participants during the study period. After adjustment, for every 1 sd higher baseline alanine aminotransferase value (13.2 U/l), the risk of a cardiovascular event was 7% lower (95% CI 4-13; P=0.02). Participants with alanine aminotransferase levels below and above the reference range 8-41 U/l for women and 9-59 U/l for men, had hazard ratios for a cardiovascular event of 1.86 (95% CI 1.12-3.09) and 0.65 (95% CI 0.49-0.87), respectively (P=0.001). No relationship was found for gamma-glutamyltransferase.

CONCLUSIONS: The data may indicate that in people with Type 2 diabetes, which is associated with higher alanine aminotransferase levels because of prevalent non-alcoholic fatty liver disease, a low alanine aminotransferase level is a marker of hepatic or systemic frailty rather than health. This article is protected by copyright. All rights reserved.

Interactions between pyrazole derived enantiomers and Chiralcel OJ: Prediction of enantiomer absolute configurations and elution order by molecular dynamics simulations

The separation of enantiomers and confirmation of their absolute configurations is significant in the development of chiral drugs. The interactions between the enantiomers of chiral pyrazole derivative and polysaccharide-based chiral stationary phase cellulose tris(4-methylbenzoate) (Chiralcel OJ) in seven solvents and under different temperature were studied using molecular dynamics simulations. The results show that solvent effect has remarkable influence on the interactions. Structure analysis discloses that the different interactions between two isomers and chiral stationary phase are dependent on the nature of solvents, which may invert the elution order. The computational method in the present study can be used to predict the elution order and the absolute configurations of enantiomers in HPLC separations and therefore would be valuable in development of chiral drugs.

Fuzzy, integer and fractional-order control: application on a wind turbine benchmark model

This paper presents a comparison between proportional integral control approaches for variable speed wind turbines. Integer and fractional-order controllers are designed using linearized wind turbine model whilst fuzzy controller also takes into account system nonlinearities. These controllers operate in the full load region and the main objective is to extract maximum power from the wind turbine while ensuring the performance and reliability required to be integrated into an electric grid. The main contribution focuses on the use of fractional-order proportional integral (FOPI) controller which benefits from the introduction of one more tuning parameter, the integral fractional-order, taking advantage over integer order proportional integral (PI) controller. A comparison between proposed control approaches for the variable speed wind turbines is presented using a wind turbine benchmark model in the Matlab/Simulink environment. Results show that FOPI has improved system performance when compared with classical PI and fuzzy PI controller outperforms the integer and fractional-order control due to its capability to deal with system nonlinearities and uncertainties. © 2014 IEEE.

Building a knowledge and learning society in Portugal - Adult students in technological schools and higher education institutions

Chapter in Merrill, Barbara (ed.) (2009) Learning to Change? The Role of Identity and Learning Careers in Adult Education. Hamburg: Peter Lang Publishers. URL: http://www.peterlang.com/ index.cfm?vID=58279&vLang=E&vHR=1&vUR=2&vUUR=1

Integer and Fractional Order Entropy Analysis of Earthquake Data-series

This paper studies the statistical distributions of worldwide earthquakes from year 1963 up to year 2012. A Cartesian grid, dividing Earth into geographic regions, is considered. Entropy and the Jensen–Shannon divergence are used to analyze and compare real-world data. Hierarchical clustering and multi-dimensional scaling techniques are adopted for data visualization. Entropy-based indices have the advantage of leading to a single parameter expressing the relationships between the seismic data. Classical and generalized (fractional) entropy and Jensen–Shannon divergence are tested. The generalized measures lead to a clear identification of patterns embedded in the data and contribute to better understand earthquake distributions.

A Summary of the American Bar Association’s (ABA) Jurisdiction in Cyberspace Project: “Achieving Legal and Business Order in Cyberspace: A Report on Global Jurisdiction Issues Created by the Internet”

"Suite à plus de deux années de recherches, le projet de l’American Bar Association (ABA) concernant la juridiction du cyberespace, « Achieving Legal and Business Order in Cyberspace: A Report on Global Jurisdiction Issues Created by the Internet », a été publié dans l’édition du mois d’août 2000 de la revue juridique The Business Lawyer. Ce rapport poursuivait deux objectifs distincts : Tout d’abord, effectuer une analyse globale des complexités potentielles entourant les conflits juridictionnels découlant du commerce en ligne. Ensuite, élaborer une liste exhaustive des solutions pouvant être utilisées pour résoudre de tels conflits. Le présent article se veut un résumé concis et accessible des trois grandes sections du « Cyberspace Jurisdiction Report » : (1) les solutions proposées aux problèmes juridictionnels découlant des conflits résultant du commerce électronique ; (2) afin d’appuyer les solutions proposées : l’utilisation d’exemples d’occasions où la technologie a déjà, par le passé, causé la métamorphose de certains paradigmes juridictionnels; et (3) afin d’appuyer les solutions proposées : l’utilisation d’un contexte doctrinal."

When glaciers vanish : nature, power and moral order in the indian Himalayas

La présente thèse est une étude ethnographique qui examine le savoir en tant que pratique située au Ladakh, dans l’Himalaya indien. Elle analyse les implications socioculturelles des deux moteurs de changement en jeu au Ladakh: l’un est d'origine socio-économique et lié à la production du Ladakh en tant que zone frontalière, tandis que l’autre est de nature environnementale et entrainé par les changements climatiques. Alors que le Ladakh est demeuré hors de la portée de l’État bureaucratique pendant l’administration coloniale britannique, la région s’est trouvée reconfigurée en zone frontalière stratégique après l’indépendance de l’Inde des suites des guerres successives avec le Pakistan et la Chine. L’Indépendance a mené à la partition de l’Inde et du Pakistan en 1947; cette thèse examine la portée à long terme des évènements traumatisants de la partition tels qu’ils se sont déroulés au Ladakh et comment les Ladakhis établissent des liens entre ces évènements et les changements climatiques. L’État indien s’est produit dans la région à travers une volonté de dominer les montagnes, principalement par le développement d’infrastructures et par l’intégration du savoir local des Ladakhis dans l’appareil militaire. La militarisation a restructuré l'économie du Ladakh, redéfini la structure des ménages, contribué à l’exode rural, déplacé la centralité des activités agropastorales et, tel que la dissertation le soutient, altéré de manière significative la connexion de la population locale avec l'environnement. La rationalisation croissante de la perspective sur l’environnement aujourd'hui contribue à la fragmentation des liens qui unissent les domaines naturels et humains dans la cosmologie locale de même qu’à l'abandon des pratiques rituelles connexes. Parallèlement, la région est touchée par des effets distincts des changements climatiques, en particulier la récession des glaciers. La thèse juxtapose l'expérience subjective de ces vastes changements dans la vie quotidienne des villageois de la Vallée de Sham avec les faits historiques environnementaux, démontrant ainsi que les événements historiques locaux influent sur les perceptions des changements environnementaux. L'analyse démontre qu’un phénomène objectif tel que la récession des glaciers est interprété à travers des réalités locales. Plus précisément, selon la conception du monde locale, un glacier en retrait est une figure rhétorique d’une transformation de la condition humaine. Comme le fait valoir la dissertation, l’interprétation culturelle ne constitue pas un obstacle à l'objectivité de l'histoire naturelle de la cosmologie locale. L’interprétation culturelle et l'expérience empirique s’avèrent par ailleurs essentielles à la vitalité des connaissances locales sur l'environnement et à la performance des pratiques associées.

Edge excitations and topological order in rotating Bose gas

The edge excitations and related topological orders of correlated states of a fast rotating Bose gas are studied. Using exact diagonalization of small systems, we compute the energies and number of edge excitations, as well as the boson occupancy near the edge for various states. The chiral Luttinger-liquid theory of Wen is found to be a good description of the edges of the bosonic Laughlin and other states identified as members of the principal Jain sequence for bosons. However, we find that in a harmonic trap the edge of the state identified as the Moore-Read (Pfaffian) state shows a number of anomalies. An experimental way of detecting these correlated states is also discussed.

Theoretical study of magnetism, structure and chemical order in transition-metal alloy clusters

Research on transition-metal nanoalloy clusters composed of a few atoms is fascinating by their unusual properties due to the interplay among the structure, chemical order and magnetism. Such nanoalloy clusters, can be used to construct nanometer devices for technological applications by manipulating their remarkable magnetic, chemical and optical properties. Determining the nanoscopic features exhibited by the magnetic alloy clusters signifies the need for a systematic global and local exploration of their potential-energy surface in order to identify all the relevant energetically low-lying magnetic isomers. In this thesis the sampling of the potential-energy surface has been performed by employing the state-of-the-art spin-polarized density-functional theory in combination with graph theory and the basin-hopping global optimization techniques. This combination is vital for a quantitative analysis of the quantum mechanical energetics. The first approach, i.e., spin-polarized density-functional theory together with the graph theory method, is applied to study the Fe$_m$Rh$_n$ and Co$_m$Pd$_n$ clusters having $N = m+n \leq 8$ atoms. We carried out a thorough and systematic sampling of the potential-energy surface by taking into account all possible initial cluster topologies, all different distributions of the two kinds of atoms within the cluster, the entire concentration range between the pure limits, and different initial magnetic configurations such as ferro- and anti-ferromagnetic coupling. The remarkable magnetic properties shown by FeRh and CoPd nanoclusters are attributed to the extremely reduced coordination number together with the charge transfer from 3$d$ to 4$d$ elements. The second approach, i.e., spin-polarized density-functional theory together with the basin-hopping method is applied to study the small Fe$_6$, Fe$_3$Rh$_3$ and Rh$_6$ and the larger Fe$_{13}$, Fe$_6$Rh$_7$ and Rh$_{13}$ clusters as illustrative benchmark systems. This method is able to identify the true ground-state structures of Fe$_6$ and Fe$_3$Rh$_3$ which were not obtained by using the first approach. However, both approaches predict a similar cluster for the ground-state of Rh$_6$. Moreover, the computational time taken by this approach is found to be significantly lower than the first approach. The ground-state structure of Fe$_{13}$ cluster is found to be an icosahedral structure, whereas Rh$_{13}$ and Fe$_6$Rh$_7$ isomers relax into cage-like and layered-like structures, respectively. All the clusters display a remarkable variety of structural and magnetic behaviors. It is observed that the isomers having similar shape with small distortion with respect to each other can exhibit quite different magnetic moments. This has been interpreted as a probable artifact of spin-rotational symmetry breaking introduced by the spin-polarized GGA. The possibility of combining the spin-polarized density-functional theory with some other global optimization techniques such as minima-hopping method could be the next step in this direction. This combination is expected to be an ideal sampling approach having the advantage of avoiding efficiently the search over irrelevant regions of the potential energy surface.