989 resultados para GEOMETRICAL ISOMERIZATION


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[EN]We analyze the best approximation

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In recent years, the use of Reverse Engineering systems has got a considerable interest for a wide number of applications. Therefore, many research activities are focused on accuracy and precision of the acquired data and post processing phase improvements. In this context, this PhD Thesis deals with the definition of two novel methods for data post processing and data fusion between physical and geometrical information. In particular a technique has been defined for error definition in 3D points’ coordinates acquired by an optical triangulation laser scanner, with the aim to identify adequate correction arrays to apply under different acquisition parameters and operative conditions. Systematic error in data acquired is thus compensated, in order to increase accuracy value. Moreover, the definition of a 3D thermogram is examined. Object geometrical information and its thermal properties, coming from a thermographic inspection, are combined in order to have a temperature value for each recognizable point. Data acquired by an optical triangulation laser scanner are also used to normalize temperature values and make thermal data independent from thermal-camera point of view.

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Nowadays the number of hip joints arthroplasty operations continues to increase because the elderly population is growing. Moreover, the global life expectancy is increasing and people adopt a more active way of life. For this reasons, the demand of implant revision operations is becoming more frequent. The operation procedure includes the surgical removal of the old implant and its substitution with a new one. Every time a new implant is inserted, it generates an alteration in the internal femur strain distribution, jeopardizing the remodeling process with the possibility of bone tissue loss. This is of major concern, particularly in the proximal Gruen zones, which are considered critical for implant stability and longevity. Today, different implant designs exist in the market; however there is not a clear understanding of which are the best implant design parameters to achieve mechanical optimal conditions. The aim of the study is to investigate the stress shielding effect generated by different implant design parameters on proximal femur, evaluating which ranges of those parameters lead to the most physiological conditions.

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Questo lavoro di tesi si inserisce nel recente filone di ricerca che ha lo scopo di studiare le strutture della Meccanica quantistica facendo impiego della geometria differenziale. In particolare, lo scopo della tesi è analizzare la geometria dello spazio degli stati quantistici puri e misti. Dopo aver riportato i risultati noti relativi a questo argomento, vengono calcolati esplicitamente il tensore metrico e la forma simplettica come parte reale e parte immaginaria del tensore di Fisher per le matrici densità 2×2 e 3×3. Quest’ultimo altro non é che la generalizzazione di uno strumento molto usato in Teoria dell’Informazione: l’Informazione di Fisher. Dal tensore di Fisher si può ottenere un tensore metrico non solo sulle orbite generate dall'azione del gruppo unitario ma anche su percorsi generati da trasformazioni non unitarie. Questo fatto apre la strada allo studio di tutti i percorsi possibili all'interno dello spazio delle matrici densità, che in questa tesi viene esplicitato per le matrici 2×2 e affrontato utilizzando il formalismo degli operatori di Kraus. Proprio grazie a questo formalismo viene introdotto il concetto di semi-gruppo dinamico che riflette la non invertibilità di evoluzioni non unitarie causate dall'interazione tra il sistema sotto esame e l’ambiente. Viene infine presentato uno schema per intraprendere la stessa analisi sulle matrici densità 3×3, e messe in evidenza le differenze con il caso 2×2.

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A series of di- and trisaccharides containing galactofuranose were synthesized using HClO4-SiO2 catalyzed glycosylation and ring transformation for the conversion of galactopyranose to galactofuranose. Yields in glycosylations and ring transformation reactions were excellent.

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The analytical force balance traditionally used in glaciology relates gravitational forcing to ice surface slope for sheet flow and to ice basal buoyancy for shelf flow. It is unable to represent stream flow as a transition from sheet flow to shelf flow by having gravitational forcing gradually passing from being driven by surface slope to being driven by basal buoyancy downslope along the length of an ice steam. This is a serious defect, because ice streams discharge up to 90% of ice from ice sheets into the sea. The defect is overcome by using a geometrical force balance that includes basal buoyancy, represented by the ratio of basal water pressure to ice overburden pressure, as a source of gravitational forcing. When combined with the mass balance, the geometrical force balance provides a holistic approach to ice flow in which resistance to gravitational flow must be summed upstream from the calving front of an ice shelf. This is not done in the analytical force balance, and it provides the ice-thinning rate required by gravitational collapse of ice sheets as interior ice is downdrawn by ice streams.

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This set of functions allows one to compute the radius of curvature of a river in planform for the purpose of making correlations with other geometric parameters of a channel. The code may also be used to compute the width of a channel.

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Trillas et al. (1999, Soft computing, 3 (4), 197–199) and Trillas and Cubillo (1999, On non-contradictory input/output couples in Zadeh's CRI proceeding, 28–32) introduced the study of contradiction in the framework of fuzzy logic because of the significance of avoiding contradictory outputs in inference processes. Later, the study of contradiction in the framework of Atanassov's intuitionistic fuzzy sets (A-IFSs) was initiated by Cubillo and Castiñeira (2004, Contradiction in intuitionistic fuzzy sets proceeding, 2180–2186). The axiomatic definition of contradiction measure was stated in Castiñeira and Cubillo (2009, International journal of intelligent systems, 24, 863–888). Likewise, the concept of continuity of these measures was formalized through several axioms. To be precise, they defined continuity when the sets ‘are increasing’, denominated continuity from below, and continuity when the sets ‘are decreasing’, or continuity from above. The aim of this paper is to provide some geometrical construction methods for obtaining contradiction measures in the framework of A-IFSs and to study what continuity properties these measures satisfy. Furthermore, we show the geometrical interpretations motivating the measures.

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We studied a series of square lattice antidot arrays, with diameter and lattice parameter from hundreds of nanometers to some microns, fabricated using two lithography techniques in epitaxial Fe(001) films. The coercivity increase of each array with respect to its base film can be scaled to a simple geometric parameter, irrespective of the lithography technique employed. Magnetic transmission x-ray microscopy studies, in arrays fabricated on polycrystalline Fe films deposited on silicon nitride membranes, evidenced the propagation of reversed domains from the edges of the arrays, in agreement with the coercivity analysis of the epitaxial arrays and with micromagnetic models.

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En esta tesis se aborda el estudio del proceso de isomerización del sistema molecular LiNC/LiCN tanto aislado como en presencia de un pulso láser aplicando la teoría del estado de transición (TST). Esta teoría tiene como pilar fundamental el hecho de que el conocimiento de la dinámica en las proximidades de un punto de silla de la superficie de energía potencial permite determinar los parámetros cinéticos de la reacción objeto de estudio. Históricamente, existen dos formulaciones de la teoría del estado de transición, la versión termodinámica de Eyring (Eyr38) y la visión dinámica de Wigner (Wig38). Ésta última ha sufrido recientemente un amplio desarrollo, paralelo a los avances en sistemas dinámicos que ha dado lugar a una formulación geométrica en el espacio de fases que sirve como base al trabajo desarrollado en esta tesis. Nos hemos centrado en abordar el problema desde una visión fundamentalmente práctica, ya que la teoría del estado de transición presenta una desventaja: su elevado coste computacional y de tiempo de cálculo. Dos han sido los principales objetivos de este trabajo. El primero de ellos ha sido sentar las bases teóricas y computacionales de un algoritmo eficiente que permita obtener las magnitudes fundamentales de la TST. Así, hemos adaptado con éxito un algoritmo computacional desarrollado en el ámbito de la mecánica celeste (Jor99), obteniendo un método rápido y eficiente para la obtención de los objetos geométricos que rigen la dinámica en el espacio de fases y que ha permitido calcular magnitudes cinéticas tales como el flujo reactivo, la densidad de estados de reactivos y productos y en última instancia la constante de velocidad. Dichos cálculos han sido comparados con resultados estadísticos (presentados en (Mül07)) lo cual nos ha permitido demostrar la eficacia del método empleado. El segundo objetivo de esta tesis, ha sido la evaluación de la influencia de los parámetros de un pulso electromagnético sobre la dinámica de reacción. Para ello se ha generalizado la metodología de obtención de la forma normal del hamiltoniano cuando el sistema químico es alterado mediante una perturbación temporal periódica. En este caso el punto fijo inestable en cuya vecindad se calculan los objetos geométricos de interés para la aplicación de la TST, se transforma en una órbita periódica del mismo periodo que la perturbación. Esto ha permitido la simulación de la reactividad en presencia de un pulso láser. Conocer el efecto de esta perturbación posibilita el control de la reactividad química. Además de obtener los objetos geométricos que rigen la dinámica en una cierta vecindad de la órbita periódica y que son la clave de la TST, se ha estudiado el efecto de los parámetros del pulso sobre la reactividad en el espacio de fases global así como sobre el flujo reactivo que atraviesa la superficie divisoria que separa reactivos de productos. Así, se ha puesto de manifiesto, que la amplitud del pulso es el parámetro más influyente sobre la reactividad química, pudiendo producir la aparición de flujos reactivos a energías inferiores a las de aparición del sistema aislado y el aumento del flujo reactivo a valores constantes de energía inicial. ABSTRACT We have studied the isomerization reaction LiNC/LiCN isolated and perturbed by a laser pulse. Transition State theory (TST) is the main tool we have used. The basis of this theory is knowing the dynamics close to a fixed point of the potential energy surface. It is possible to calculate kinetic magnitudes by knowing the dynamics in a neighbourhood of the fixed point. TST was first formulated in the 30's and there were 2 points of view, one thermodynamical by Eyring (Eyr38) and another dynamical one by Wigner (Wig38). The latter one has grown lately due to the growth of the dynamical systems leading to a geometrical view of the TST. This is the basis of the work shown in this thesis. As the TST has one main handicap: the high computational cost, one of the main goals of this work is to find an efficient method. We have adapted a methodology developed in the field of celestial mechanics (Jor99). The result: an efficient, fast and accurate algorithm that allows us to obtain the geometric objects that lead the dynamics close to the fixed point. Flux across the dividing surface, density of states and reaction rate coefficient have been calculated and compared with previous statistical results, (Mül07), leading to the conclusion that the method is accurate and good enough. We have widen the methodology to include a time dependent perturbation. If the perturbation is periodic in time, the fixed point becomes a periodic orbit whose period is the same as the period of the perturbation. This way we have been able to simulate the isomerization reaction when the system has been perturbed by a laser pulse. By knowing the effect of that perturbation we will be able to control the chemical reactivity. We have also studied the effect of the parameters on the global phase space dynamics and on the flux across the dividing surface. It has been prove that amplitude is the most influent parameter on the reaction dynamics. Increasing amplitude leads to greater fluxes and to some flux at energies it would not if the systems would not have been perturbed.

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Unraveling pyramidal cell structure is crucial to understanding cortical circuit computations. Although it is well known that pyramidal cell branching structure differs in the various cortical areas, the principles that determine the geometric shapes of these cells are not fully understood. Here we analyzed and modeled with a von Mises distribution the branching angles in 3D reconstructed basal dendritic arbors of hundreds of intracellularly injected cortical pyramidal cells in seven different cortical regions of the frontal, parietal, and occipital cortex of the mouse. We found that, despite the differences in the structure of the pyramidal cells in these distinct functional and cytoarchitectonic cortical areas, there are common design principles that govern the geometry of dendritic branching angles of pyramidal cells in all cortical areas.