Modelización de reacciones químicas en presencia de un campo electromagnético variable

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.

Cálculo de pilas con aparatos de apoyo tipo POT y tablero con punto fijo

In recent years a great number of high speed railway bridges have been constructed within the Spanish borders. Due to the demanding high speed trains route's geometrical requirements, bridges frequently show remarkable lengths. This fact is the main reason why railway bridges are overall longer than roadway bridges. In the same line, it is also worth highlighting the importance of high speed trains braking forces compared to vehicles. While vehicles braking forces can be tackled easily, the railway braking forces demand the existence of a fixed-point. It is generally located at abutments where the no-displacements requirement can be more easily achieved. In some other cases the fixed-point is placed in one of the interior columns. As a consequence of these bridges' length and the need of a fixed-point, temperature, creep and shrinkage strains lead to fairly significant deck displacements, which become greater with the distance to the fixed-point. These displacements need to be accommodated by the piers and bearings deformation. Regular elastomeric bearings are not able to allow such displacements and therefore are not suitable for this task. For this reason, the use of sliding PTFE POT bearings has been an extensive practice mainly because they permit sliding with low friction. This is not the only reason of the extensive use of these bearings to high-speed railways bridges. The value of the vertical loads at each bent is significantly higher than in roadway bridges. This is so mainly because the live loads due to trains traffic are much greater than vehicles. Thus, gravel rails foundation represents a non-negligible permanent load at all. All this together increases the value of vertical loads to be withstood. This high vertical load demand discards the use of conventional bearings for excessive compressions. The PTFE POT bearings' higher technology allows to accommodate this level of compression thanks to their design. The previously explained high-speed railway bridge configuration leads to a key fact regarding longitudinal horizontal loads (such as breaking forces) which is the transmission of these loads entirely to the fixed-point alone. Piers do not receive these longitudinal horizontal loads since PTFE POT bearings displayed are longitudinally free-sliding. This means that longitudinal horizontal actions on top of piers will not be forces but imposed displacements. This feature leads to the need to approach these piers design in a different manner that when piers are elastically linked to superstructure, which is the case of elastomeric bearings. In response to the previous, the main goal of this Thesis is to present a Design Method for columns displaying either longitudinally fixed POT bearings or longitudinally free PTFE POT bearings within bridges with fixed-point deck configuration, applicable to railway and road vehicles bridges. The method was developed with the intention to account for all major parameters that play a role in these columns behavior. The long process that has finally led to the method's formulation is rooted in the understanding of these column's behavior. All the assumptions made to elaborate the formulations contained in this method have been made in benefit of conservatives results. The singularity of the analysis of columns with this configuration is due to a combination of different aspects. One of the first steps of this work was to study they of these design aspects and understand the role each plays in the column's response. Among these aspects, special attention was dedicated to the column's own creep due to permanent actions such us rheological deck displacements, and also to the longitudinally guided PTFE POT bearings implications in the design of the column. The result of this study is the Design Method presented in this Thesis, that allows to work out a compliant vertical reinforcement distribution along the column. The design of horizontal reinforcement due to shear forces is not addressed in this Thesis. The method's formulations are meant to be applicable to the greatest number of cases, leaving to the engineer judgement many of the different parameters values. In this regard, this method is a helpful tool for a wide range of cases. The widespread use of European standards in the more recent years, in particular the so-called Eurocodes, has been one of the reasons why this Thesis has been developed in accordance with Eurocodes. Same trend has been followed for the bearings design implications, which are covered by the rather recent European code EN-1337. One of the most relevant aspects that this work has taken from the Eurocodes is the non-linear calculations security format. The biaxial bending simplified approach that shows the Design Method presented in this work also lies on Eurocodes recommendations. The columns under analysis are governed by a set of dimensionless parameters that are presented in this work. The identification of these parameters is a helpful for design purposes for two columns with identical dimensionless parameters may be designed together. The first group of these parameters have to do with the cross-sectional behavior, represented in the bending-curvature diagrams. A second group of parameters define the columns response. Thanks to this identification of the governing dimensionless parameters, it has been possible what has been named as Dimensionless Design Curves, which basically allows to obtain in a reduced time a preliminary vertical reinforcement column distribution. These curves are of little use nowadays, firstly because each family of curves refer to specific values of many different parameters and secondly because the use of computers allows for extremely quick and accurate calculations.

Análisis del ruido de ocio, propuesta de procedimientos y herramientas de gestión

El ruido derivado de las actividades de ocio es uno de los contaminantes acústicos más importantes en la sociedad actual. Este foco de ruido no sólo se encuentra presente en los entorno de los bares, pubs o discotecas, sino también en las zonas donde se desarrollan los eventos festivos de la ciudad. Sin embargo, son pocos los estudios y actuaciones llevadas a cabo desde el punto de vista ambiental que permitan conocer las principales características del ruido de ocio, los métodos de medida o los parámetros más adecuados. Por este motivo, se han fijado en estos aspectos los objetivos de esta tesis doctoral. Para el estudio del ruido de ocio nocturno se ha desarrollado y evaluado un método de medida, basado en la realización de medidas binaurales durante un recorrido y en medidas de larga duración en puntos fijos de las distintas zonas de ocio de Madrid y Cuenca. A partir de los resultados obtenidos, se ha realizado una caracterización acústica del ruido ocio, se ha definido un procedimiento de actuación en el que se incluye un modelo de predicción, y se ha desarrollado un modelo clasificador capaz de diferenciar el ruido de ocio del ruido de tráfico rodado. En el caso de los eventos de ocio también se ha desarrollado un método de evaluación y medida adaptado a sus características, con el que se han medido los eventos más importantes acontecidos durante un año en Madrid y Cuenca, del análisis de estas medidas se ha determinado qué eventos son los más ruidosos, así como sus características principales y las diferencias entre ellos. Este estudio pretende servir de apoyo en la gestión del ruido ambiental derivado de las actividades de ocio, presentando datos cualitativos y cuantitativos de este tipo de ruido en sus distintas facetas y aportando nuevas herramientas que faciliten su gestión. ABSTRACT Leisure noise is one of the most important environmental pollutants nowadays. This noise is not only nearby leisure venues where people go at night, but also around leisure events like popular parties or concerts placed in urban areas. There are few studies and actions about leisure noise from the environmental noise point of view, and consequently, there are no information about the leisure noise characteristics, the most appropriate measurement methods or the most interesting parameters to evaluate this kind of noise. Consequently, these are the aims of this PhD thesis. About the noise around leisure venues, a measurement method has been defined by using the Soundwalker technique. Besides, fixed point measurements have been done in different leisure areas. With the results of these measurements, a noise characterization has been done and a guide has been developed to act in case of leisure noise problems, including a method to predict the leisure noise in this kind of areas. As well as that, a classifying model has been done to differenciate leisure noise and road traffic noise. A measurement procedure has been developed in the leisure events case. Following this procedure, the most important events happened during a year in two different cities have been measured. With these results, the noisiest events, the most important characteristics of each kind of event and the differences between them have been pointed out. This study tries to support the environmental noise management in the leisure noise case. It provides cualitative and quantitative data of leisure noise levels in different situations; it also defines an action protocol to resolve leisure noise problems and it defines new tools to manage this kind of noise.

Automated wordlength optimization framework for multi-source statistical interval-based analysis of nonlinear systems with control-flow structures

El uso de aritmética de punto fijo es una opción de diseño muy extendida en sistemas con fuertes restricciones de área, consumo o rendimiento. Para producir implementaciones donde los costes se minimicen sin impactar negativamente en la precisión de los resultados debemos llevar a cabo una asignación cuidadosa de anchuras de palabra. Encontrar la combinación óptima de anchuras de palabra en coma fija para un sistema dado es un problema combinatorio NP-hard al que los diseñadores dedican entre el 25 y el 50 % del ciclo de diseño. Las plataformas hardware reconfigurables, como son las FPGAs, también se benefician de las ventajas que ofrece la aritmética de coma fija, ya que éstas compensan las frecuencias de reloj más bajas y el uso más ineficiente del hardware que hacen estas plataformas respecto a los ASICs. A medida que las FPGAs se popularizan para su uso en computación científica los diseños aumentan de tamaño y complejidad hasta llegar al punto en que no pueden ser manejados eficientemente por las técnicas actuales de modelado de señal y ruido de cuantificación y de optimización de anchura de palabra. En esta Tesis Doctoral exploramos distintos aspectos del problema de la cuantificación y presentamos nuevas metodologías para cada uno de ellos: Las técnicas basadas en extensiones de intervalos han permitido obtener modelos de propagación de señal y ruido de cuantificación muy precisos en sistemas con operaciones no lineales. Nosotros llevamos esta aproximación un paso más allá introduciendo elementos de Multi-Element Generalized Polynomial Chaos (ME-gPC) y combinándolos con una técnica moderna basada en Modified Affine Arithmetic (MAA) estadístico para así modelar sistemas que contienen estructuras de control de flujo. Nuestra metodología genera los distintos caminos de ejecución automáticamente, determina las regiones del dominio de entrada que ejercitarán cada uno de ellos y extrae los momentos estadísticos del sistema a partir de dichas soluciones parciales. Utilizamos esta técnica para estimar tanto el rango dinámico como el ruido de redondeo en sistemas con las ya mencionadas estructuras de control de flujo y mostramos la precisión de nuestra aproximación, que en determinados casos de uso con operadores no lineales llega a tener tan solo una desviación del 0.04% con respecto a los valores de referencia obtenidos mediante simulación. Un inconveniente conocido de las técnicas basadas en extensiones de intervalos es la explosión combinacional de términos a medida que el tamaño de los sistemas a estudiar crece, lo cual conlleva problemas de escalabilidad. Para afrontar este problema presen tamos una técnica de inyección de ruidos agrupados que hace grupos con las señales del sistema, introduce las fuentes de ruido para cada uno de los grupos por separado y finalmente combina los resultados de cada uno de ellos. De esta forma, el número de fuentes de ruido queda controlado en cada momento y, debido a ello, la explosión combinatoria se minimiza. También presentamos un algoritmo de particionado multi-vía destinado a minimizar la desviación de los resultados a causa de la pérdida de correlación entre términos de ruido con el objetivo de mantener los resultados tan precisos como sea posible. La presente Tesis Doctoral también aborda el desarrollo de metodologías de optimización de anchura de palabra basadas en simulaciones de Monte-Cario que se ejecuten en tiempos razonables. Para ello presentamos dos nuevas técnicas que exploran la reducción del tiempo de ejecución desde distintos ángulos: En primer lugar, el método interpolativo aplica un interpolador sencillo pero preciso para estimar la sensibilidad de cada señal, y que es usado después durante la etapa de optimización. En segundo lugar, el método incremental gira en torno al hecho de que, aunque es estrictamente necesario mantener un intervalo de confianza dado para los resultados finales de nuestra búsqueda, podemos emplear niveles de confianza más relajados, lo cual deriva en un menor número de pruebas por simulación, en las etapas iniciales de la búsqueda, cuando todavía estamos lejos de las soluciones optimizadas. Mediante estas dos aproximaciones demostramos que podemos acelerar el tiempo de ejecución de los algoritmos clásicos de búsqueda voraz en factores de hasta x240 para problemas de tamaño pequeño/mediano. Finalmente, este libro presenta HOPLITE, una infraestructura de cuantificación automatizada, flexible y modular que incluye la implementación de las técnicas anteriores y se proporciona de forma pública. Su objetivo es ofrecer a desabolladores e investigadores un entorno común para prototipar y verificar nuevas metodologías de cuantificación de forma sencilla. Describimos el flujo de trabajo, justificamos las decisiones de diseño tomadas, explicamos su API pública y hacemos una demostración paso a paso de su funcionamiento. Además mostramos, a través de un ejemplo sencillo, la forma en que conectar nuevas extensiones a la herramienta con las interfaces ya existentes para poder así expandir y mejorar las capacidades de HOPLITE. ABSTRACT Using fixed-point arithmetic is one of the most common design choices for systems where area, power or throughput are heavily constrained. In order to produce implementations where the cost is minimized without negatively impacting the accuracy of the results, a careful assignment of word-lengths is required. The problem of finding the optimal combination of fixed-point word-lengths for a given system is a combinatorial NP-hard problem to which developers devote between 25 and 50% of the design-cycle time. Reconfigurable hardware platforms such as FPGAs also benefit of the advantages of fixed-point arithmetic, as it compensates for the slower clock frequencies and less efficient area utilization of the hardware platform with respect to ASICs. As FPGAs become commonly used for scientific computation, designs constantly grow larger and more complex, up to the point where they cannot be handled efficiently by current signal and quantization noise modelling and word-length optimization methodologies. In this Ph.D. Thesis we explore different aspects of the quantization problem and we present new methodologies for each of them: The techniques based on extensions of intervals have allowed to obtain accurate models of the signal and quantization noise propagation in systems with non-linear operations. We take this approach a step further by introducing elements of MultiElement Generalized Polynomial Chaos (ME-gPC) and combining them with an stateof- the-art Statistical Modified Affine Arithmetic (MAA) based methodology in order to model systems that contain control-flow structures. Our methodology produces the different execution paths automatically, determines the regions of the input domain that will exercise them, and extracts the system statistical moments from the partial results. We use this technique to estimate both the dynamic range and the round-off noise in systems with the aforementioned control-flow structures. We show the good accuracy of our approach, which in some case studies with non-linear operators shows a 0.04 % deviation respect to the simulation-based reference values. A known drawback of the techniques based on extensions of intervals is the combinatorial explosion of terms as the size of the targeted systems grows, which leads to scalability problems. To address this issue we present a clustered noise injection technique that groups the signals in the system, introduces the noise terms in each group independently and then combines the results at the end. In this way, the number of noise sources in the system at a given time is controlled and, because of this, the combinato rial explosion is minimized. We also present a multi-way partitioning algorithm aimed at minimizing the deviation of the results due to the loss of correlation between noise terms, in order to keep the results as accurate as possible. This Ph.D. Thesis also covers the development of methodologies for word-length optimization based on Monte-Carlo simulations in reasonable times. We do so by presenting two novel techniques that explore the reduction of the execution times approaching the problem in two different ways: First, the interpolative method applies a simple but precise interpolator to estimate the sensitivity of each signal, which is later used to guide the optimization effort. Second, the incremental method revolves on the fact that, although we strictly need to guarantee a certain confidence level in the simulations for the final results of the optimization process, we can do it with more relaxed levels, which in turn implies using a considerably smaller amount of samples, in the initial stages of the process, when we are still far from the optimized solution. Through these two approaches we demonstrate that the execution time of classical greedy techniques can be accelerated by factors of up to ×240 for small/medium sized problems. Finally, this book introduces HOPLITE, an automated, flexible and modular framework for quantization that includes the implementation of the previous techniques and is provided for public access. The aim is to offer a common ground for developers and researches for prototyping and verifying new techniques for system modelling and word-length optimization easily. We describe its work flow, justifying the taken design decisions, explain its public API and we do a step-by-step demonstration of its execution. We also show, through an example, the way new extensions to the flow should be connected to the existing interfaces in order to expand and improve the capabilities of HOPLITE.

On the development of advanced techniques for mixed-elastohydrodynamic lubrification modelling of journal and sliding bearing systems.

The present thesis is focused on the development of a thorough mathematical modelling and computational solution framework aimed at the numerical simulation of journal and sliding bearing systems operating under a wide range of lubrication regimes (mixed, elastohydrodynamic and full film lubrication regimes) and working conditions (static, quasi-static and transient conditions). The fluid flow effects have been considered in terms of the Isothermal Generalized Equation of the Mechanics of the Viscous Thin Films (Reynolds equation), along with the massconserving p-Ø Elrod-Adams cavitation model that accordingly ensures the so-called JFO complementary boundary conditions for fluid film rupture. The variation of the lubricant rheological properties due to the viscous-pressure (Barus and Roelands equations), viscous-shear-thinning (Eyring and Carreau-Yasuda equations) and density-pressure (Dowson-Higginson equation) relationships have also been taken into account in the overall modelling. Generic models have been derived for the aforementioned bearing components in order to enable their applications in general multibody dynamic systems (MDS), and by including the effects of angular misalignments, superficial geometric defects (form/waviness deviations, EHL deformations, etc.) and axial motion. The bearing exibility (conformal EHL) has been incorporated by means of FEM model reduction (or condensation) techniques. The macroscopic in fluence of the mixedlubrication phenomena have been included into the modelling by the stochastic Patir and Cheng average ow model and the Greenwood-Williamson/Greenwood-Tripp formulations for rough contacts. Furthermore, a deterministic mixed-lubrication model with inter-asperity cavitation has also been proposed for full-scale simulations in the microscopic (roughness) level. According to the extensive mathematical modelling background established, three significant contributions have been accomplished. Firstly, a general numerical solution for the Reynolds lubrication equation with the mass-conserving p - Ø cavitation model has been developed based on the hybridtype Element-Based Finite Volume Method (EbFVM). This new solution scheme allows solving lubrication problems with complex geometries to be discretized by unstructured grids. The numerical method was validated in agreement with several example cases from the literature, and further used in numerical experiments to explore its exibility in coping with irregular meshes for reducing the number of nodes required in the solution of textured sliding bearings. Secondly, novel robust partitioned techniques, namely: Fixed Point Gauss-Seidel Method (PGMF), Point Gauss-Seidel Method with Aitken Acceleration (PGMA) and Interface Quasi-Newton Method with Inverse Jacobian from Least-Squares approximation (IQN-ILS), commonly adopted for solving uid-structure interaction problems have been introduced in the context of tribological simulations, particularly for the coupled calculation of dynamic conformal EHL contacts. The performance of such partitioned methods was evaluated according to simulations of dynamically loaded connecting-rod big-end bearings of both heavy-duty and high-speed engines. Finally, the proposed deterministic mixed-lubrication modelling was applied to investigate the in fluence of the cylinder liner wear after a 100h dynamometer engine test on the hydrodynamic pressure generation and friction of Twin-Land Oil Control Rings.

Positive solutions for nonlinear m-point Eigenvalue problems

In this paper, we are concerned with determining values of lambda, for which there exist positive solutions of the nonlinear eigenvalue problem [GRAPHICS] where a, b, c, d is an element of [0, infinity), xi(i) is an element of (0, 1), alpha(i), beta(i) is an element of [0 infinity) (for i is an element of {1, ..., m - 2}) are given constants, p, q is an element of C ([0, 1], (0, infinity)), h is an element of C ([0, 1], [0, infinity)), and f is an element of C ([0, infinity), [0, infinity)) satisfying some suitable conditions. Our proofs are based on Guo-Krasnoselskii fixed point theorem. (C) 2004 Elsevier Inc. All rights reserved.

Incorporating curvature information into on-line learning

We analyse the dynamics of a number of second order on-line learning algorithms training multi-layer neural networks, using the methods of statistical mechanics. We first consider on-line Newton's method, which is known to provide optimal asymptotic performance. We determine the asymptotic generalization error decay for a soft committee machine, which is shown to compare favourably with the result for standard gradient descent. Matrix momentum provides a practical approximation to this method by allowing an efficient inversion of the Hessian. We consider an idealized matrix momentum algorithm which requires access to the Hessian and find close correspondence with the dynamics of on-line Newton's method. In practice, the Hessian will not be known on-line and we therefore consider matrix momentum using a single example approximation to the Hessian. In this case good asymptotic performance may still be achieved, but the algorithm is now sensitive to parameter choice because of noise in the Hessian estimate. On-line Newton's method is not appropriate during the transient learning phase, since a suboptimal unstable fixed point of the gradient descent dynamics becomes stable for this algorithm. A principled alternative is to use Amari's natural gradient learning algorithm and we show how this method provides a significant reduction in learning time when compared to gradient descent, while retaining the asymptotic performance of on-line Newton's method.

Using interior point algorithms for the solution of linear programs with special structural features

Linear Programming (LP) is a powerful decision making tool extensively used in various economic and engineering activities. In the early stages the success of LP was mainly due to the efficiency of the simplex method. After the appearance of Karmarkar's paper, the focus of most research was shifted to the field of interior point methods. The present work is concerned with investigating and efficiently implementing the latest techniques in this field taking sparsity into account. The performance of these implementations on different classes of LP problems is reported here. The preconditional conjugate gradient method is one of the most powerful tools for the solution of the least square problem, present in every iteration of all interior point methods. The effect of using different preconditioners on a range of problems with various condition numbers is presented. Decomposition algorithms has been one of the main fields of research in linear programming over the last few years. After reviewing the latest decomposition techniques, three promising methods were chosen the implemented. Sparsity is again a consideration and suggestions have been included to allow improvements when solving problems with these methods. Finally, experimental results on randomly generated data are reported and compared with an interior point method. The efficient implementation of the decomposition methods considered in this study requires the solution of quadratic subproblems. A review of recent work on algorithms for convex quadratic was performed. The most promising algorithms are discussed and implemented taking sparsity into account. The related performance of these algorithms on randomly generated separable and non-separable problems is also reported.

Compositional semantics of dataflow networks with query-driven communication of exact values

We develop and study the concept of dataflow process networks as used for exampleby Kahn to suit exact computation over data types related to real numbers, such as continuous functions and geometrical solids. Furthermore, we consider communicating these exact objectsamong processes using protocols of a query-answer nature as introduced in our earlier work. This enables processes to provide valid approximations with certain accuracy and focusing on certainlocality as demanded by the receiving processes through queries. We define domain-theoretical denotational semantics of our networks in two ways: (1) directly, i. e. by viewing the whole network as a composite process and applying the process semantics introduced in our earlier work; and (2) compositionally, i. e. by a fixed-point construction similarto that used by Kahn from the denotational semantics of individual processes in the network. The direct semantics closely corresponds to the operational semantics of the network (i. e. it iscorrect) but very difficult to study for concrete networks. The compositional semantics enablescompositional analysis of concrete networks, assuming it is correct. We prove that the compositional semantics is a safe approximation of the direct semantics. Wealso provide a method that can be used in many cases to establish that the two semantics fully coincide, i. e. safety is not achieved through inactivity or meaningless answers. The results are extended to cover recursively-defined infinite networks as well as nested finitenetworks. A robust prototype implementation of our model is available.

Two-phases control of DSRC Vehicle networks for road intersection coexisting safety applications

In this paper we propose a two phases control method for DSRC vehicle networks at road intersection, where multiple road safety applications may coexist. We consider two safety applications, emergency safety application with high priority and routine safety applications with low priority. The control method is designed to provide high availability and low latency for emergency safety applications while leave as much as possible bandwidth for routine applications. It is expected to be capable of adapting to changing network conditions. In the first phase of the method we use a simulation based offline approach to find out the best configurations for message rate and MAC layer parameters for given numbers of vehicles. In the second phase we use the configurations identified by simulations at roadside access point (AP) for system operation. A utilization function is proposed to balance the QoS performances provided to multiple safety applications. It is demonstrated that the proposed method can largely improve the system performance when compared to fixed control method.

Adaptive congestion control of DSRC vehicle networks for collaborative road safety applications

Congestion control is critical for the provisioning of quality of services (QoS) over dedicated short range communications (DSRC) vehicle networks for road safety applications. In this paper we propose a congestion control method for DSRC vehicle networks at road intersection, with the aims of providing high availability and low latency channels for high priority emergency safety applications while maximizing channel utilization for low priority routine safety applications. In this method a offline simulation based approach is used to find out the best possible configurations of message rate and MAC layer backoff exponent (BE) for a given number of vehicles equipped with DSRC radios. The identified best configurations are then used online by an roadside access point (AP) for system operation. Simulation results demonstrated that this adaptive method significantly outperforms the fixed control method under varying number of vehicles. The impact of estimation error on the number of vehicles in the network on system level performance is also investigated.

Fast reconstruction of harmonic functions from Cauchy data using integral equation techniques

We consider the problem of stable determination of a harmonic function from knowledge of the solution and its normal derivative on a part of the boundary of the (bounded) solution domain. The alternating method is a procedure to generate an approximation to the harmonic function from such Cauchy data and we investigate a numerical implementation of this procedure based on Fredholm integral equations and Nyström discretization schemes, which makes it possible to perform a large number of iterations (millions) with minor computational cost (seconds) and high accuracy. Moreover, the original problem is rewritten as a fixed point equation on the boundary, and various other direct regularization techniques are discussed to solve that equation. We also discuss how knowledge of the smoothness of the data can be used to further improve the accuracy. Numerical examples are presented showing that accurate approximations of both the solution and its normal derivative can be obtained with much less computational time than in previous works.

Comparative Analysis of the Opposite Rotating Cylinders Impact over Couette Flow for Rarefied Gas

Петър Господинов, Добри Данков, Владимир Русинов, Стефан Стефанов - Иследвано е цилиндрично течение на Кует на разреден газ в случая на въртене на два коаксиални цилиндъра с еднакви по големина скорости, но в различни посоки. Целта на изследването е да се установи влиянието на малки скорости на въртене върху макрохарактеристиките – ρ, V , . Числените резултати са получени чрез използване на DSMC и числено решение на уравненията на Навие-Стокс за относително малки (дозвукови) скорости на въртене. Установено е добро съвпадение на резултатите получени по двата метода за Kn = 0.02. Установено е, че съществува “стационарна” точка за плътността и скоростта. Получените резултати са важни при решаването на неравнини, задачи от микрофлуидиката с отчитане на ефектите на кривината. Ключови думи: Механика на флуидите, Кинетична теория, Разреден газ, DSMC

On the Optimal Allocations in Economy with Fixed Total Resources

Здравко Д. Славов - В тази статия се разглежда математически модел на икономика с фиксирани общи ресурси, както и краен брой агенти и блага. Обсъжда се ролята на някои предположения за отношенията на предпочитание на икономическите агенти, които влияят на характеристиките на оптимално разпределените дялове. Доказва се, че множеството на оптимално разпределените дялове е свиваемо и притежава свойството на неподвижната точка.

A general Approach to Methods with a Sparse Jacobian for Solving Nonlinear Systems of Equations

2000 Mathematics Subject Classification: 65H10.