968 resultados para two-centre atomic orbital close coupling method


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This work presents a two-dimensional approach of risk assessment method based on the quantification of the probability of the occurrence of contaminant source terms, as well as the assessment of the resultant impacts. The risk is calculated using Monte Carlo simulation methods whereby synthetic contaminant source terms were generated to the same distribution as historically occurring pollution events or a priori potential probability distribution. The spatial and temporal distributions of the generated contaminant concentrations at pre-defined monitoring points within the aquifer were then simulated from repeated realisations using integrated mathematical models. The number of times when user defined ranges of concentration magnitudes were exceeded is quantified as risk. The utilities of the method were demonstrated using hypothetical scenarios, and the risk of pollution from a number of sources all occurring by chance together was evaluated. The results are presented in the form of charts and spatial maps. The generated risk maps show the risk of pollution at each observation borehole, as well as the trends within the study area. This capability to generate synthetic pollution events from numerous potential sources of pollution based on historical frequency of their occurrence proved to be a great asset to the method, and a large benefit over the contemporary methods.

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The purpose of this paper is to identify empirically the implicit structural model, especially the roles of size asymmetries and concentration, used by the European Commission to identify mergers with coordinated effects (i.e. collective dominance). Apart from its obvious policy-relevance, the paper is designed to shed empirical light on the conditions under which tacit collusion is most likely. We construct a database relating to 62 candidate mergers and find that, in the eyes of the Commission, tacit collusion in this context virtually never involves more than two firms and requires close symmetry in the market shares of the two firms.

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An important variant of a key problem for multi-attribute decision making is considered. We study the extension of the pairwise comparison matrix to the case when only partial information is available: for some pairs no comparison is given. It is natural to define the inconsistency of a partially filled matrix as the inconsistency of its best, completely filled completion. We study here the uniqueness problem of the best completion for two weighting methods, the Eigen-vector Method and the Logarithmic Least Squares Method. In both settings we obtain the same simple graph theoretic characterization of the uniqueness. The optimal completion will be unique if and only if the graph associated with the partially defined matrix is connected. Some numerical experiences are discussed at the end of the paper.

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The increasing amount of available semistructured data demands efficient mechanisms to store, process, and search an enormous corpus of data to encourage its global adoption. Current techniques to store semistructured documents either map them to relational databases, or use a combination of flat files and indexes. These two approaches result in a mismatch between the tree-structure of semistructured data and the access characteristics of the underlying storage devices. Furthermore, the inefficiency of XML parsing methods has slowed down the large-scale adoption of XML into actual system implementations. The recent development of lazy parsing techniques is a major step towards improving this situation, but lazy parsers still have significant drawbacks that undermine the massive adoption of XML. ^ Once the processing (storage and parsing) issues for semistructured data have been addressed, another key challenge to leverage semistructured data is to perform effective information discovery on such data. Previous works have addressed this problem in a generic (i.e. domain independent) way, but this process can be improved if knowledge about the specific domain is taken into consideration. ^ This dissertation had two general goals: The first goal was to devise novel techniques to efficiently store and process semistructured documents. This goal had two specific aims: We proposed a method for storing semistructured documents that maps the physical characteristics of the documents to the geometrical layout of hard drives. We developed a Double-Lazy Parser for semistructured documents which introduces lazy behavior in both the pre-parsing and progressive parsing phases of the standard Document Object Model’s parsing mechanism. ^ The second goal was to construct a user-friendly and efficient engine for performing Information Discovery over domain-specific semistructured documents. This goal also had two aims: We presented a framework that exploits the domain-specific knowledge to improve the quality of the information discovery process by incorporating domain ontologies. We also proposed meaningful evaluation metrics to compare the results of search systems over semistructured documents. ^

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We completed a synoptic survey of iron, phosphorus, and sulfur concentrations in shallow marine carbonate sediments from south Florida. Total extracted iron concentrations typically were 50 μmol g-1 dry weight (DW) and tended to decrease away from the Florida mainland, whereas total extracted phosphorus concentrations mostly were 10 μmol g-1 DW and tended to decrease from west to east across Florida Bay. Concentrations of reduced sulfur compounds, up to 40 μmol g-1 DW, tended to covary with sediment iron concentrations, suggesting that sulfide mineral formation was iron-limited. An index of iron availability derived from sediment data was negatively correlated with chlorophyll a concentrations in surface waters, demonstrating the close coupling of sediment-water column processes. Eight months after applying a surface layer of iron oxide granules to experimental plots, sediment iron, phosphorus, and sulfur were elevated to a depth of 10 cm relative to control plots. Biomass of the seagrass Thalassia testudinum was not different between control and iron addition plots, but individual shoot growth rates were significantly higher in experimental plots after 8 months. Although the iron content of leaf tissues was significantly higher from iron addition plots, no difference in phosphorus content of T. testudinum leaves was observed. Iron addition altered plant exposure to free sulfide, documented by a significantly higher δ34S of leaf tissue from experimental plots relative to controls. Iron as a buffer to toxic sulfides may promote individual shoot growth, but phosphorus availability to plants still appears to limit production in carbonate sediments.

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Poor informational reading and writing skills in early grades and the need to provide students more experience with informational text have been identified by research as areas of concern. Wilkinson and Son (2011) support future research in dialogic approaches to investigate the impact dialogic teaching has on comprehension. This study (N = 39) examined the gains in reading comprehension, science achievement, and metacognitive functioning of individual second grade students interacting with instructors using dialogue journals alongside their textbook. The 38 week study consisted of two instructional phases, and three assessment points. After a period of oral metacognitive strategies, one class formed the treatment group (n=17), consisting of two teachers following the co-teaching method, and two classes formed the comparison group ( n=22). The dialogue journal intervention for the treatment group embraced the transactional theory of instruction through the use of dialogic interaction between teachers and students. Students took notes on the assigned lesson after an oral discussion. Teachers responded to students' entries with scaffolding using reading strategies (prior knowledge, skim, slow down, mental integration, and diagrams) modeled after Schraw's (1998) strategy evaluation matrix, to enhance students' comprehension. The comparison group utilized text-based, teacher-led whole group discussion. Data were collected using different measures: (a) Florida Assessments for Instruction in Reading (FAIR) Broad Diagnostic Inventory; (b) Scott Foresman end of chapter tests; (c) Metacomprehension Strategy Index (Schmitt, 1990); and (d) researcher-made metacognitive scaffolding rubric. Statistical analyses were performed using paired sample t-tests, regression analysis of covariance, and two way analysis of covariance. Findings from the study revealed that experimental participants performed significantly better on the linear combination of reading comprehension, science achievement, and metacognitive function, than their comparison group counterparts while controlling for pretest scores. Overall, results from the study established that teacher scaffolding using metacognitive strategies can potentially develop students' reading comprehension, science achievement, and metacognitive awareness. This suggests that early childhood students gain from the integration of reading and writing when using authentic materials (science textbooks) in science classrooms. A replication of this study with more students across more schools, and different grade levels would improve the generalizability of these results.

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It has long been known that vocabulary is essential in the development of reading. Because vocabulary leading to increased comprehension is important, it necessary to determine strategies for ensuring that the best methods of teaching vocabulary are used to help students make gains in vocabulary leading to reading comprehension. According to the National Reading Panel, multiple strategies that involve active engagement on the part of the student are more effective than the use of just one strategy. The purpose of this study was to determine if students' use of visualization, student-generated pictures of onset-and-rime-patterned vocabulary, and story read-alouds with discussion, would enable diverse first-grade students to increase their vocabulary and comprehension. In addition, this study examined the effect of the multimodal framework of strategies on English learners (ELs). This quasi-experimental study (N=69) was conducted in four first-grade classrooms in a low socio-economic school. Two treatment classes used a multimodal framework of strategies to learn weekly vocabulary words and comprehension. Two comparison classrooms used the traditional method of teaching weekly vocabulary and comprehension. Data sources included Florida Assessments for Instruction in Reading (FAIR), comprehension and vocabulary scores, and weekly MacMillan/McGraw Hill Treasures basal comprehension questions and onset-and-rime vocabulary questions. This research determined that the treatment had an effect in adjusted FAIR comprehension means by group, with the treatment group (adj M = 5.14) significantly higher than the comparison group ( adj M = -8.26) on post scores. However, the treatment means did not increase from pre to post, but the comparison means significantly decreased from pre to post as the materials became more challenging. For the FAIR vocabulary, there was a significant difference by group with the comparison adjusted post mean higher than the treatment's, although both groups significantly increased from pre to post. However, the FAIR vocabulary posttest was not part of the Treasures vocabulary, which was taught using the multimodal framework of strategies. The Treasures vocabulary scores were not significantly different by group on the assessment across the weeks, although the treatment means were higher than those of the comparison group. Continued research is needed in the area of vocabulary and comprehension instructional methods in order to determine strategies to increase diverse, urban students' performance.

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The increasing amount of available semistructured data demands efficient mechanisms to store, process, and search an enormous corpus of data to encourage its global adoption. Current techniques to store semistructured documents either map them to relational databases, or use a combination of flat files and indexes. These two approaches result in a mismatch between the tree-structure of semistructured data and the access characteristics of the underlying storage devices. Furthermore, the inefficiency of XML parsing methods has slowed down the large-scale adoption of XML into actual system implementations. The recent development of lazy parsing techniques is a major step towards improving this situation, but lazy parsers still have significant drawbacks that undermine the massive adoption of XML. Once the processing (storage and parsing) issues for semistructured data have been addressed, another key challenge to leverage semistructured data is to perform effective information discovery on such data. Previous works have addressed this problem in a generic (i.e. domain independent) way, but this process can be improved if knowledge about the specific domain is taken into consideration. This dissertation had two general goals: The first goal was to devise novel techniques to efficiently store and process semistructured documents. This goal had two specific aims: We proposed a method for storing semistructured documents that maps the physical characteristics of the documents to the geometrical layout of hard drives. We developed a Double-Lazy Parser for semistructured documents which introduces lazy behavior in both the pre-parsing and progressive parsing phases of the standard Document Object Model's parsing mechanism. The second goal was to construct a user-friendly and efficient engine for performing Information Discovery over domain-specific semistructured documents. This goal also had two aims: We presented a framework that exploits the domain-specific knowledge to improve the quality of the information discovery process by incorporating domain ontologies. We also proposed meaningful evaluation metrics to compare the results of search systems over semistructured documents.

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During the "Polarstern"-expeditions ARK-IX/4 (1993) and ARK-XI/1 (1995), organised by the Alfred Wegener Institute (AWI), acoustic subbottom profiles (Parasound) have been collected in the Laptev Sea Shelf, Siberia. These data have been interpreted as an indicator of ice scours frequency and off-shore permafrost patterns. An additional acoustic profile data-base was available by the results of the expedition of the Federal Institute for Geosciences and Natural Resources (BGR) of the year 1994. The area of the expedition was located closer to the shelf, therefore supports a better understanding of ice scours frequency in shallower marine environments. The data-file consists of a 2930 km Parasound-traverse and has been subdivided into 586 working profiles. They are characterised by their location, number of ice scours, interpreted patterns of reflection and their extension and morphology. The data have been evaluated statistically and graphically and were presented in a map. Different patterns of sea floor reflection were established by different environments, outer influences (e.g. size of the icebergs, direction of the drift of icebergs) and the climatic history of the region. In the north-westerly region of the Laptev Sea at the continental slope of Severnaya Zemlya the sea floor in shallower depths has been ploughed intensely by recent icebergs. In some regions (40-60m), as an effect of intensely ploughing, the sea floor is hardly defined in acoustic profiles come along with relocation of marine deposits. Glacial diamiet deposits prevented the development of deep scours. Up to 355m deeper scours result from lower sea levels. The marginal north-easterly region of the Laptev Sea is characterised exclusively by this type of scour. Morphology and depth of these scours can be compared with those of the westerly Vilkitsky-Street so that similar conditions of development may be expected. Both, the north-easterly Laptev Sea and the Vilkitsky-Street, are not dominated by patterns ofrecent icebergs. In contrary the shelf-regions north-easterly ofthe Taimyr peninsula and north-westerly of the New Siberian Islands have been modified evidently by recent icebergs, which drifted with prevalent currents anticlockwise along the shelf edge of the Laptev Sea and cause the deepest scours of the whole region. The off-shore permafrost at the inner shelf regions has an important influence on the scours intensity. The permafrost layer can be recognised by the maximum depth of ice scours. It is represented by a Parasound reflector that can be made up for distances. The age of the ice scours cannot be determined absolutely by Parasound data but a relative order can be estimated whenever two scours are situated close to each other. When the Parasound-traverse ofthe expedition ARK-IX/4 (1993) (77°24'N 133°30'E-77°30'N 133°40'E) was repeated partially in expedition ARK-XI/l (1995) the ice scours of 1993 remained unchanged and uneroded and no new ice scours had been detected. It can be concluded that scours persist for a long time in the Laptev Sea, though after all with an average of 3 ice scours per kilometer there are not many at all in the Laptev Sea.

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Variable reluctance motors have been increasingly used as an alternative for variable speed and high speed drives in many industrial applications, due to many advantages like the simplicity of construction, robustness, and low cost. The most common applications in recent years are related to aeronautics, electric and hybrid vehicles and wind power generation. This paper explores the theory, operation, design procedures and analysis of a variable reluctance machine. An iterative design methodology is introduced and used to design a 1.25 kW prototype. For the analysis of the machine two methods are used, an analytical method and the finite element simulation. The results obtained by both methods are compared. The results of finite element simulation are used to determine the inductance profiles and torque of the prototype. The magnetic saturation is examined visually and numerically in four critical points of the machine. The data collected in the simulation allow the verification of design and operating limits for the prototype. Moreover, the behavior of the output quantities is analyzed (inductance, torque and magnetic saturation) by variation of physical dimensions of the motor. Finally, a multiobjective optimization using Differential Evolution algorithms and Genetic Algorithms for switched reluctance machine design is proposed. The optimized variables are rotor and stator polar arcs, and the goals are to maximize the average torque, the average torque per copper losses and the average torque per core volume. Finally, the initial design and optimized design are compared.

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Technological developments in biomedical microsystems are opening up new opportunities to improve healthcare procedures. Swallowable diagnostic capsules are an example of this. In this paper, a diagnostic capsule technology is described based on direct-access sensing of the Gastro Intestinal (GI) fluids throughout the GI tract. The objective of this paper is two-fold: i) develop a packaging method for a direct access sensor, ii) develop an encapsulation method to protect the system electronics. The integrity of the interconnection after sensor packaging and encapsulation is correlated to its reliability and thus of importance. The zero level packaging of the sensor was achieved by using a so called Flip Chip Over Hole (FCOH) method. This allowed the fluidic sensing media to interface with the sensor, while the rest of the chip including the electrical connections can be insulated effectively. Initial tests using Anisotropic Conductive Adhesive (ACA) interconnect for the FCOH demonstrated good electrical connections and functionality of the sensor chip. Also a preliminary encapsulation trial of the flip chipped sensor on a flexible test substrate has been carried out and showed that silicone encapsulation of the system is a viable option.

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The aim of this thesis is to identify the relationship between subjective well-being and economic insecurity for public and private sector workers in Ireland using the European Social Survey 2010-2012. Life satisfaction and job satisfaction are the indicators used to measure subjective well-being. Economic insecurity is approximated by regional unemployment rates and self-perceived job insecurity. Potential sample selection bias and endogeneity bias are accounted for. It is traditionally believed that public sector workers are relatively more protected against insecurity due to very institution of public sector employment. The institution of public sector employment is made up of stricter dismissal practices (Luechinger et al., 2010a) and less volatile employment (Freeman, 1987) where workers are subsequently less likely to be affected by business cycle downturns (Clark and Postal-Vinay, 2009). It is found in the literature that economic insecurity depresses the well-being of public sector workers to a lesser degree than private sector workers (Luechinger et al., 2010a; Artz and Kaya, 2014). These studies provide the rationale for this thesis in testing for similar relationships in an Irish context. Sample selection bias arises when a selection into a particular category is not random (Heckman, 1979). An example of this is non-random selection into public sector employment based on personal characteristics (Heckman, 1979; Luechinger et al., 2010b). If selection into public sector employment is not corrected for this can lead to biased and inconsistent estimators (Gujarati, 2009). Selection bias of public sector employment is corrected for by using a standard Two-Step Heckman Probit OLS estimation method. Following Luechinger et al. (2010b), the propensity for individuals to select into public sector employment is estimated by a binomial probit model with the inclusion of the additional regressor Irish citizenship. Job satisfaction is then estimated by Ordinary Least Squares (OLS) with the inclusion of a sample correction term similar as is done in Clark (1997). Endogeneity is where an independent variable included in the model is determined within in the context of the model (Chenhall and Moers, 2007). The econometric definition states that an endogenous independent variable is one that is correlated with the error term (Wooldridge, 2010). Endogeneity is expected to be present due to a simultaneous relationship between job insecurity and job satisfaction whereby both variables are jointly determined (Theodossiou and Vasileiou, 2007). Simultaneity, as an instigator of endogeneity, is corrected for using Instrumental Variables (IV) techniques. Limited Information Methods and Full Information Methods of estimation of simultaneous equations models are assed and compared. The general results show that job insecurity depresses the subjective well-being of all workers in both the public and private sectors in Ireland. The magnitude of this effect differs among sectoral workers. The subjective well-being of private sector workers is more adversely affected by job insecurity than the subjective well-being of public sector workers. This is observed in basic ordered probit estimations of both a life satisfaction equation and a job satisfaction equation. The marginal effects from the ordered probit estimation of a basic job satisfaction equation show that as job insecurity increases the probability of reporting a 9 on a 10-point job satisfaction scale significantly decreases by 3.4% for the whole sample of workers, 2.8% for public sector workers and 4.0% for private sector workers. Artz and Kaya (2014) explain that as a result of many austerity policies implemented to reduce government expenditure during the economic recession, workers in the public sector may for the first time face worsening perceptions of job security which can have significant implications for their well-being (Artz and Kaya, 2014). This can be observed in the marginal effects where job insecurity negatively impacts the well-being of public sector workers in Ireland. However, in accordance with Luechinger et al. (2010a) the results show that private sector workers are more adversely impacted by economic insecurity than public sector workers. This suggests that in a time of high economic volatility, the institution of public sector employment held and was able to protect workers against some of the well-being consequences of rising insecurity. In estimating the relationship between subjective well-being and economic insecurity advanced econometric issues arise. The results show that when selection bias is corrected for, any statistically significant relationship between job insecurity and job satisfaction disappears for public sector workers. Additionally, in order to correct for endogeneity bias the simultaneous equations model for job satisfaction and job insecurity is estimated by Limited Information and Full Information Methods. The results from two different estimators classified as Limited Information Methods support the general findings of this research. Moreover, the magnitude of the endogeneity-corrected estimates are twice as large as those not corrected for endogeneity bias which is similarly found in Geishecker (2010, 2012). As part of the analysis into the effect of economic insecurity on subjective well-being, the effects of other socioeconomic variables and work-related variables are examined for public and private sector workers in Ireland.

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Early instrumental pressure measurements from Gibraltar and the Reykjavik area of Iceland have been used to extend to 1821 the homogeneous pressure series at the two locations. In winter the two sites are located close to the centres of action that comprise the North Atlantic Oscillation (NAO). The extended 'winter half-year' record of the NAO enables recent changes in the record to be placed in the context of the period 1823-1996. The period since the early 1970s is the most prolonged positive phase of the oscillation and the late 1980s and early 1990s is the period with the highest values (strongest westerlies). The winter of 1995-1996 marked a dramatic switch in the index, with the change from 1994-1995 being the greatest change recorded from one year to the next since the series began in 1823. (The extended Gibraltar and Reykjavik monthly pressures and the NAO series can be found on the Climatic Research Unit home page, http://www.cru.uea.ac.uk/).

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We present the first ecosystem-scale methane flux data from a northern Siberian tundra ecosystem covering the entire snow-free period from spring thaw until initial freeze-back. Eddy covariance measurements of methane emission were carried out from the beginning of June until the end of September in the southern central part of the Lena River Delta (72°22' N, 126°30' E). The study site is located in the zone of continuous permafrost and is characterized by Arctic continental climate with very low precipitation and a mean annual temperature of -14.7°C. We found relatively low fluxes of on average 18.7 mg/m**2/d, which we consider to be because of (1) extremely cold permafrost, (2) substrate limitation of the methanogenic archaea, and (3) a relatively high surface coverage of noninundated, moderately moist areas. Near-surface turbulence as measured by the eddy covariance system in 4 m above the ground surface was identified as the most important control on ecosystem-scale methane emission and explained about 60% of the variance in emissions, while soil temperature explained only 8%. In addition, atmospheric pressure was found to significantly improve an exponential model based on turbulence and soil temperature. Ebullition from waterlogged areas triggered by decreasing atmospheric pressure and near-surface turbulence is thought to be an important pathway that warrants more attention in future studies. The close coupling of methane fluxes and atmospheric parameters demonstrated here raises questions regarding the reliability of enclosure-based measurements, which inherently exclude these parameters.

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The sea-surface microlayer (SML) is at the upper- most surface of the ocean, linking the hydrosphere with the atmosphere. The presence and enrichment of organic compounds in the SML have been suggested to influence air- sea gas exchange processes as well as the emission of primary organic aerosols. Here, we report on organic matter components collected from an approximately 50µm thick SML and from the underlying water (ULW), ca. 20 cm below the SML, in December 2012 during the SOPRAN METEOR 91 cruise to the highly productive, coastal upwelling regime off the coast of Peru. Samples were collected at 37 stations including coastal upwelling sites and off-shore stations with less organic matter and were analyzed for total and dissolved high molecular weight (> 1 kDa) combined carbohydrates (TCCHO, DCCHO), free amino acids (FAA), total and dissolved hydrolyzable amino acids (THAA, DHAA), transparent exopolymer particles (TEP), Coomassie stainable particles (CSPs), total and dissolved organic carbon (TOC, DOC), total and dissolved nitrogen (TN, TDN), as well as bacterial and phytoplankton abundance. Our results showed a close coupling between organic matter concentrations in the water column and in the SML for almost all components except for FAA and DHAA that showed highest enrichment in the SML on average. Accumulation of gel particles (i.e., TEP and CSP) in the SML differed spatially. While CSP abundance in the SML was not related to wind speed, TEP abundance decreased with wind speed, leading to a depletion of TEP in the SML at about 5 m s-1 . Our study provides insight to the physical and biological control of organic matter enrichment in the SML, and discusses the potential role of organic matter in the SML for air-sea exchange processes.