20 resultados para THREADING EDGE DISLOCATION
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Dissertation submitted in partial fulfillment of the requirements for the Degree of Master of Science in Geospatial Technologies.
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Ligand K-edge XAS of an [Fe3S4]0 model complex is reported. The pre-edge can be resolved into contributions from the í2Ssulfide, í3Ssulfide, and Sthiolate ligands. The average ligand-metal bond covalencies obtained from these pre-edges are further distributed between Fe3+ and Fe2.5+ components using DFT calculations. The bridging ligand covalency in the [Fe2S2]+ subsite of the [Fe3S4]0 cluster is found to be significantly lower than its value in a reduced [Fe2S2] cluster (38% vs 61%, respectively). This lowered bridging ligand covalency reduces the superexchange coupling parameter J relative to its value in a reduced [Fe2S2]+ site (-146 cm-1 vs -360 cm-1, respectively). This decrease in J, along with estimates of the double exchange parameter B and vibronic coupling parameter ì2/k-, leads to an S ) 2 delocalized ground state in the [Fe3S4]0 cluster. The S K-edge XAS of the protein ferredoxin II (Fd II) from the D. gigas active site shows a decrease in covalency compared to the model complex, in the same oxidation state, which correlates with the number of H-bonding interactions to specific sulfur ligands present in the active site. The changes in ligand-metal bond covalencies upon redox compared with DFT calculations indicate that the redox reaction involves a two-electron change (one-electron ionization plus a spin change of a second electron) with significant electronic relaxation. The presence of the redox inactive Fe3+ center is found to decrease the barrier of the redox process in the [Fe3S4] cluster due to its strong antiferromagnetic coupling with the redox active Fe2S2 subsite.
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In the past few years Tabling has emerged as a powerful logic programming model. The integration of concurrent features into the implementation of Tabling systems is demanded by need to use recently developed tabling applications within distributed systems, where a process has to respond concurrently to several requests. The support for sharing of tables among the concurrent threads of a Tabling process is a desirable feature, to allow one of Tabling’s virtues, the re-use of computations by other threads and to allow efficient usage of available memory. However, the incremental completion of tables which are evaluated concurrently is not a trivial problem. In this dissertation we describe the integration of concurrency mechanisms, by the way of multi-threading, in a state of the art Tabling and Prolog system, XSB. We begin by reviewing the main concepts for a formal description of tabled computations, called SLG resolution and for the implementation of Tabling under the SLG-WAM, the abstract machine supported by XSB. We describe the different scheduling strategies provided by XSB and introduce some new properties of local scheduling, a scheduling strategy for SLG resolution. We proceed to describe our implementation work by describing the process of integrating multi-threading in a Prolog system supporting Tabling, without addressing the problem of shared tables. We describe the trade-offs and implementation decisions involved. We then describe an optimistic algorithm for the concurrent sharing of completed tables, Shared Completed Tables, which allows the sharing of tables without incurring in deadlocks, under local scheduling. This method relies on the execution properties of local scheduling and includes full support for negation. We provide a theoretical framework and discuss the implementation’s correctness and complexity. After that, we describe amethod for the sharing of tables among threads that allows parallelism in the computation of inter-dependent subgoals, which we name Concurrent Completion. We informally argue for the correctness of Concurrent Completion. We give detailed performance measurements of the multi-threaded XSB systems over a variety of machines and operating systems, for both the Shared Completed Tables and the Concurrent Completion implementations. We focus our measurements inthe overhead over the sequential engine and the scalability of the system. We finish with a comparison of XSB with other multi-threaded Prolog systems and we compare our approach to concurrent tabling with parallel and distributed methods for the evaluation of tabling. Finally, we identify future research directions.
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In the present work, the authors describe the excavation of the monument of "Pedras da Granja" or "Pedras Altas", in the Várzea de Sintra. The first part consists of the diary of the excavations, a description of the stratigraphy encountered and of the position of the finds. An inventory of all the material found in this monument is given in the second part. The conclusions show that the monument was built on the surface of a lapiás whose crevices were used for the insertion of the standing stones, and for the deposition of the dead. Three archaeological levels were shown to exist: - upper level: Bell Beaker level; - intermediate level containing some artifacts of the Bell Beaker culture; - lower, older level with human remains more or less in situ, belonging to a local Neolithic-culture influenced by cultural imports of foreign origin. The three levels are separated, at the southern edge of the site, by layers of fallen stones. The human remains belong to some old people, but mostly to young men, women and children.
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Superoxide reductase is a 14 kDa metalloprotein containing a catalytic nonhaem iron centre [Fe(His)4Cys]. It is involved in defence mechanisms against oxygen toxicity, scavenging superoxide radicals from the cell. The oxidized form of Treponema pallidum superoxide reductase was crystallized in the presence of polyethylene glycol and magnesium chloride. Two crystal forms were obtained depending on the oxidizing agents used after purification: crystals grown in the presence of K3Fe(CN)6 belonged to space group P21 (unit-cell parameters a = 60.3, b = 59.9, c = 64.8 A ° , = 106.9 ) and diffracted beyond 1.60 A ° resolution, while crystals grown in the presence of Na2IrCl6 belonged to space group C2 (a = 119.4, b = 60.1, c = 65.6 A ° , = 104.9 ) and diffracted beyond 1.55 A ° . A highly redundant X-ray diffraction data set from the C2 crystal form collected on a copper rotating-anode generator ( = 1.542 A ° ) clearly defined the positions of the four Fe atoms present in the asymmetric unit by SAD methods. A MAD experiment at the iron absorption edge confirmed the positions of the previously determined iron sites and provided better phases for model building and refinement. Molecular replacement using the P21 data set was successful using a preliminary trace as a search model. A similar arrangement of the four protein molecules could be observed.
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Dissertação apresentada na Faculdade de Ciências e Tecnologia da Universidade Nova de Lisboa para a obtenção do grau de Mestre em Engenharia Electrotécnica e de Computadores
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Este trabalho foi realizado sob orientação do Prof. António Brandão Moniz para a disciplina “Factores Sociais da Inovação” do Mestrado Engenharia Informática realizado na Faculdade de Ciências e Tecnologia da Universidade Nova de Lisboa (Portugal)
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Dissertação apresentada na Faculdade de Ciências e Tecnologia da Universidade Nova de Lisboa para a obtenção do Grau de Mestre em Engenharia Informática
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Dissertation submitted in partial fulfilment of the requirements for the Degree of Master of Science in Geospatial Technologies
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The Aljezur "graben" is a crucial piece in understanding the Caenozoic evolution of the SW atlantic portuguese edge. Detailed study of the sedimentary filling and bordering accidents allows the identification of several evolution steps since the Miocene. The graben is bordered by accidents that dislocate geomorphologic surfaces (Littoral Platform to the W, Interior Platform to the E), and also Neogene sedimentary units. The sedimentary filling is composed by conglomerates and sands grading into clays and bioclastic limestones (Burdigalian to Serravalian), upon which lie unconformably fine reddish sands, sometimes with abundant micas. Genetic and geometric relationships between these sands, those in higher surfaces outside the "graben" and the main bordering faults, are discussed. As a conclusion, the reconstruction of the tectono-sedimentary evolution is attempted, integrating it in a "pull-apart" context associated with the Messejana-fault system and it's reactivation by the differently orientated alpine compressions.
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Dissertation submitted in partial fulfillment of the requirements for the Degree of Master of Science in Geospatial Technologies.
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J Biol Inorg Chem. 2008 Jun;13(5):737-53. doi: 10.1007/s00775-008-0359-6
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Dissertation to obtain the academic degree of Master in materials engineering submitted to the Faculty of science and engineering of Universidade Nova de Lisboa
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Dissertação para obtenção do Grau de Mestre em Engenharia Informática