Tesis sobre el tema "Structure"

Deployable structures serve a large number of space missions. They are vital since spacecraft are launched by placing them inside launch vehicle payload fairings of limited volume. Traditional spacecraft design often involves large components. These components could have power, communication, or optics applications and include booms, masts, antennas, and solar arrays. Different stowing methods are used in order to reduce the overall size of a spacecraft. Some examples of stowing methods include simple articulating, more complex origami inspired folding, telescoping, and rolling or wrapping. Wrapping of a flexible component could reduce the weight by eliminating joints and other components needed to enable some of the other mechanisms. It also is one of the most effective methods at reducing the compaction volume of the stowed deployable. In this study, a generic unfurlable structure is optimized for maximum natural frequency at its fully deployed configuration and minimal strain energy in its stowed configuration. The optimized stowed structure is then deployed in simulation. The structure consists of a rectangular panel that tightly wraps around a central cylindrical hub for release in space. It is desired to minimize elastic energy in the fully wrapped panel and hinge to ensure minimum reaction load into the spacecraft as it deploys in space, since that elastic energy stored at the stowed position transforms into kinetic energy when the panel is released and induces a moment in the connected spacecraft. It is also desired to maximize the fundamental frequency of the released panel as a surrogate for the panel having sufficient stiffness. Deployment dynamic analysis of the finite element model was run to ensure satisfactory optimization formulation and results.<br>Master of Science<br>Spacecraft, or artificial satellites, do not fly from earth to space on their own. They are launched into their orbits by placing them inside launch vehicles, also known as carrier rockets. Some parts or components of spacecraft are large and cannot fit in their designated space inside launch vehicles without being stowed into smaller volumes first. Examples of large components on spacecraft include solar arrays, which provide power to the spacecraft, and antennas, which are used on satellite for communication purposes. Many methods have been developed to stow such large components. Many of these methods involve folding about joints or hinges, whether it is done in a simple manner or by more complex designs. Moreover, components that are flexible enough could be rolled or wrapped before they are placed in launch vehicles. This method reduces the mass which the launch vehicle needs to carry, since added mass of joints is eliminated. Low mass is always desirable in space applications. Furthermore, wrapping is very effective at minimizing the volume of a component. These structures store energy inside them as they are wrapped due to the stiffness of their materials. This behavior is identical to that observed in a deformed spring. When the structures are released in space, that energy is released, and thus, they deploy and try to return to their original form. This is due to inertia, where the stored strain energy turns into kinetic energy as the structure deploys. The physical analysis of these structures, which enables their design, is complex and requires computational solutions and numerical modeling. The best design for a given problem can be found through numerical optimization. Numerical optimization uses mathematical approximations and computer programming to give the values of design parameters that would result in the best design based on specified criterion and goals. In this thesis, numerical optimization was conducted for a simple unfurlable structure. The structure consists of a thin rectangular panel that wraps tightly around a central cylinder. The cylinder and panel are connected with a hinge that is a rotational spring with some stiffness. The optimization was solved to obtain the best values for the stiffness of the hinge, the thickness of the panel, which is allowed to vary along its length, and the stiffness or elasticity of the panel's material. The goals or objective of the optimization was to ensure that the deployed panel meets stiffness requirement specified for similar space components. Those requirements are set to make certain that the spacecraft can be controlled from earth even with its large component deployed. Additionally, the second goal of the optimization was to guarantee that the unfurling panel does not have very high energy stored while it's wrapped, so that it would not cause large motion the connected spacecraft in the zero gravity environments of space. A computer simulation was run with the resulting hinge stiffness and panel elasticity and thickness values with the cylinder and four panels connected to a structure representing a spacecraft. The simulation results and deployment animation were assessed to confirm that desired results were achieved.

The simulation of diffractive optical structures allows for the efficient testing of a large number of structures without having to actually fabricate these devices. Various forms of analysis of these structures have been done through computer programs in the past. However, programs that can actually design a structure to perform a given task are very limited in scope. Optimization of a structure can be a task that is very processor time intensive, particularly if the optimization space has many dimensions. This thesis describes the creation of a computer program that is able to find an optimal structure while maintaining a low-dimensional search space, thus greatly reducing the processor time required to find the solution. The program can design the optimal structure for a wide variety of planar optical devices that conform to the weakly-guiding approximation with an efficient code that incorporates the low-dimensional search space concept. This work is the first use of an electromagnetic field solver inside of an optimization loop for the design of an optimized diffractive-optic structure.

Approved for public release; distribution is unlimited.<br>In this research, dynamic characteristics of polymer composite beam and plate structures were studied when the structures were in contact with water. The effect of fluid-structure interaction (FSI) on natural frequencies, mode shapes, and dynamic responses was examined for polymer composite structures using multiphysics-based computational techniques. Composite structures were modeled using the finite element method. The fluid was modeled as an acoustic medium using the cellular automata technique. Both techniques were coupled so that both fluid and structure could interact bi-directionally. In order to make the coupling easier, the beam and plate finite elements have only displacement degrees of freedom but no rotational degrees of freedom. The fast Fourier transform (FFT) technique was applied to the transient responses of the composite structures with and without FSI, respectively, so that the effect of FSI can be examined by comparing the two results. The study showed that the effect of FSI is significant on dynamic properties of polymer composite structures. Some previous experimental observations were confirmed using the results from the computer simulations, which also enhanced understanding the effect of FSI on dynamic responses of composite structures.

Uncertainty involved in the safe and comfort design of the structures is a major concern of civil engineers. Traditionally, the uncertainty has been overcome by utilizing various and relatively large safety factors for loads and structural properties. As a result in conventional design of for example tall buildings, the designed structural elements have unnecessary dimensions that sometimes are more than double of the ones needed to resist normal loads. On the other hand the requirements for strength and safety and comfort can be conflicting. Consequently, an alternative approach for design of the structures may be of great interest in design of safe and comfort structures that also offers economical advantages. Recently, there has been growing interest among the researchers in the concept of structural control as an alternative or complementary approach to the existing approaches of structural design. A few buildings have been designed and built based on this concept. The concept is to utilize a device for applying a force (known as control force) to encounter the effects of disturbing forces like earthquake force. However, the concept still has not found its rightful place among the practical engineers and more research is needed on the subject. One of the main problems in structural control is to find a proper algorithm for determining the optimum control force that should be applied to the structure. The investigation reported in this thesis is concerned with the application of active control to civil engineering structures. From the literature on control theory. (Particularly literature on the control of civil engineering structures) problems faced in application of control theory were identified and classified into two categories: 1) problems common to control of all dynamical systems, and 2) problems which are specially important in control of civil engineering structures. It was concluded that while many control algorithms are suitable for control of dynamical systems, considering the special problems in controlling civil structures and considering the unique future of structural control, many otherwise useful control algorithms face practical problems in application to civil structures. Consequently a set of criteria were set for judging the suitability of the control algorithms for use in control of civil engineering structures. Various types of existing control algorithms were investigated and finally it was concluded that predictive optimal control algorithms possess good characteristics for purpose of control of civil engineering structures. Among predictive control algorithms, those that use ARMA stochastic models for predicting the ground acceleration are better fitted to the structural control environment because all the past measured excitation is used to estimate the trends of the excitation for making qualified guesses about its coming values. However, existing ARMA based predictive algorithms are devised specially for earthquake and require on-line measurement of the external disturbing load which is not possible for dynamic loads like wind or blast. So, the algorithms are not suitable for tall buildings that experience both earthquake and wind loads during their life. Consequently, it was decided to establish a new closed loop predictive optimal control based on ARMA models as the first phase of the study. In this phase it was initially established that ARMA models are capable of predicting response of a linear SDOF system to the earthquake excitation a few steps ahead. The results of the predictions encouraged a search for finding a new closed loop optimal predictive control algorithm for linear SDOF structures based on prediction of the response by ARMA models. The second part of phase I, was devoted to developing and testing the proposed algorithm The new developed algorithm is different from other ARMA based optimal controls since it uses ARMA models for prediction of the structure response while existing algorithms predict the input excitation. Modeling the structure response as an AR or ARMA stochastic process is an effective mean for prediction of the structure response while avoiding measurement of the input excitation. ARMA models used in the algorithm enables it to avoid or reduce the time delay effect by predicting the structure response a few steps ahead. Being a closed loop control, the algorithm is suitable for all structural control conditions and can be used in a single control mechanism for vibration control of tall buildings against wind, earthquake or other random dynamic loads. Consequently the standby time is less than that for existing ARMA based algorithms devised only for earthquakes. This makes the control mechanism more reliable. The proposed algorithm utilizes and combines two different mathematical models. First model is an ARMA model representing the environment and the structure as a single system subjected to the unknown random excitation and the second model is a linear SDOF system which represents the structure subjected to a known past history of the applied control force only. The principle of superposition is then used to combine the results of these two models to predict the total response of the structure as a function of the control force. By using the predicted responses, the minimization of the performance index with respect to the control force is carried out for finding the optimal control force. As phase II, the proposed predictive control algorithm was extended to structures that are more complicated than linear SDOF structures. Initially, the algorithm was extended to linear MDOF structures. Although, the development of the algorithm for MDOF structures was relatively straightforward, during testing of the algorithm, it was found that prediction of the response by ARMA models can not be done as was done for SDOF case. In the SDOF case each of the two components of the state vector (i.e. displacement and velocity) was treated separately as an ARMA stochastic process. However, applying the same approach to each component of the state vector of a MDOF structure did not yield satisfactory results in prediction of the response. Considering the whole state vector as a multi-variable ARMA stochastic vector process yielded the desired results in predicting the response a few steps ahead. In the second part of this phase, the algorithm was extended to non-linear MDOF structures. Since the algorithm had been developed based on the principle of superposition, it was not possible to directly extend the algorithm to non-linear systems. Instead, some generalized response was defined. Then credibility of the ARMA models in predicting the generalized response was verified. Based on this credibility, the algorithm was extended for non-linear MDOF structures. Also in phase II, the stability of a controlled MDOF structure was proved. Both internal and external stability of the system were described and verified. In phase III, some problems of special interest, i.e. soil-structure interaction and control time delay, were investigated and compensated for in the framework of the developed predictive optimal control. In first part of phase III soil-structure interaction was studied. The half-space solution of the SSI effect leads to a frequency dependent representation of the structure-footing system, which is not fit for control purpose. Consequently an equivalent frequency independent system was proposed and defined as a system whose frequency response is equal to the original structure -footing system in the mean squares sense. This equivalent frequency independent system then was used in the control algorithm. In the second part of this phase, an analytical approach was used to tackle the time delay phenomenon in the context of the predictive algorithm described in previous chapters. A generalized performance index was defined considering time delay. Minimization of the generalized performance index resulted into a modified version of the algorithm in which time delay is compensated explicitly. Unlike the time delay compensation technique used in the previous phases of this investigation, which restricts time delay to be an integer multiplier of the sampling period, the modified algorithm allows time delay to be any non-negative number. However, the two approaches produce the same results if time delay is an integer multiplier of the sampling period. For evaluating the proposed algorithm and comparing it with other algorithms, several numerical simulations were carried during the research by using MATLAB and its toolboxes. A few interesting results of these simulations are enumerated below: ARM A models are able to predict the response of both linear and non-linear structures to random inputs such as earthquakes. The proposed predictive optimal control based on ARMA models has produced better results in the context of reducing velocity, displacement, total energy and operational cost compared to classic optimal control. Proposed active control algorithm is very effective in increasing safety and comfort. Its performance is not affected much by errors in the estimation of system parameters (e.g. damping). The effect of soil-structure interaction on the response to control force is considerable. Ignoring SSI will cause a significant change in the magnitude of the frequency response and a shift in the frequencies of the maximum response (resonant frequencies). Compensating the time delay effect by the modified version of the proposed algorithm will improve the performance of the control system in achieving the control goal and reduction of the structural response.

Uncertainty involved in the safe and comfort design of the structures is a major concern of civil engineers. Traditionally, the uncertainty has been overcome by utilizing various and relatively large safety factors for loads and structural properties. As a result in conventional design of for example tall buildings, the designed structural elements have unnecessary dimensions that sometimes are more than double of the ones needed to resist normal loads. On the other hand the requirements for strength and safety and comfort can be conflicting. Consequently, an alternative approach for design of the structures may be of great interest in design of safe and comfort structures that also offers economical advantages. Recently, there has been growing interest among the researchers in the concept of structural control as an alternative or complementary approach to the existing approaches of structural design. A few buildings have been designed and built based on this concept. The concept is to utilize a device for applying a force (known as control force) to encounter the effects of disturbing forces like earthquake force. However, the concept still has not found its rightful place among the practical engineers and more research is needed on the subject. One of the main problems in structural control is to find a proper algorithm for determining the optimum control force that should be applied to the structure. The investigation reported in this thesis is concerned with the application of active control to civil engineering structures. From the literature on control theory. (Particularly literature on the control of civil engineering structures) problems faced in application of control theory were identified and classified into two categories: 1) problems common to control of all dynamical systems, and 2) problems which are specially important in control of civil engineering structures. It was concluded that while many control algorithms are suitable for control of dynamical systems, considering the special problems in controlling civil structures and considering the unique future of structural control, many otherwise useful control algorithms face practical problems in application to civil structures. Consequently a set of criteria were set for judging the suitability of the control algorithms for use in control of civil engineering structures. Various types of existing control algorithms were investigated and finally it was concluded that predictive optimal control algorithms possess good characteristics for purpose of control of civil engineering structures. Among predictive control algorithms, those that use ARMA stochastic models for predicting the ground acceleration are better fitted to the structural control environment because all the past measured excitation is used to estimate the trends of the excitation for making qualified guesses about its coming values. However, existing ARMA based predictive algorithms are devised specially for earthquake and require on-line measurement of the external disturbing load which is not possible for dynamic loads like wind or blast. So, the algorithms are not suitable for tall buildings that experience both earthquake and wind loads during their life. Consequently, it was decided to establish a new closed loop predictive optimal control based on ARMA models as the first phase of the study. In this phase it was initially established that ARMA models are capable of predicting response of a linear SDOF system to the earthquake excitation a few steps ahead. The results of the predictions encouraged a search for finding a new closed loop optimal predictive control algorithm for linear SDOF structures based on prediction of the response by ARMA models. The second part of phase I, was devoted to developing and testing the proposed algorithm The new developed algorithm is different from other ARMA based optimal controls since it uses ARMA models for prediction of the structure response while existing algorithms predict the input excitation. Modeling the structure response as an AR or ARMA stochastic process is an effective mean for prediction of the structure response while avoiding measurement of the input excitation. ARMA models used in the algorithm enables it to avoid or reduce the time delay effect by predicting the structure response a few steps ahead. Being a closed loop control, the algorithm is suitable for all structural control conditions and can be used in a single control mechanism for vibration control of tall buildings against wind, earthquake or other random dynamic loads. Consequently the standby time is less than that for existing ARMA based algorithms devised only for earthquakes. This makes the control mechanism more reliable. The proposed algorithm utilizes and combines two different mathematical models. First model is an ARMA model representing the environment and the structure as a single system subjected to the unknown random excitation and the second model is a linear SDOF system which represents the structure subjected to a known past history of the applied control force only. The principle of superposition is then used to combine the results of these two models to predict the total response of the structure as a function of the control force. By using the predicted responses, the minimization of the performance index with respect to the control force is carried out for finding the optimal control force. As phase II, the proposed predictive control algorithm was extended to structures that are more complicated than linear SDOF structures. Initially, the algorithm was extended to linear MDOF structures. Although, the development of the algorithm for MDOF structures was relatively straightforward, during testing of the algorithm, it was found that prediction of the response by ARMA models can not be done as was done for SDOF case. In the SDOF case each of the two components of the state vector (i.e. displacement and velocity) was treated separately as an ARMA stochastic process. However, applying the same approach to each component of the state vector of a MDOF structure did not yield satisfactory results in prediction of the response. Considering the whole state vector as a multi-variable ARMA stochastic vector process yielded the desired results in predicting the response a few steps ahead. In the second part of this phase, the algorithm was extended to non-linear MDOF structures. Since the algorithm had been developed based on the principle of superposition, it was not possible to directly extend the algorithm to non-linear systems. Instead, some generalized response was defined. Then credibility of the ARMA models in predicting the generalized response was verified. Based on this credibility, the algorithm was extended for non-linear MDOF structures. Also in phase II, the stability of a controlled MDOF structure was proved. Both internal and external stability of the system were described and verified. In phase III, some problems of special interest, i.e. soil-structure interaction and control time delay, were investigated and compensated for in the framework of the developed predictive optimal control. In first part of phase III soil-structure interaction was studied. The half-space solution of the SSI effect leads to a frequency dependent representation of the structure-footing system, which is not fit for control purpose. Consequently an equivalent frequency independent system was proposed and defined as a system whose frequency response is equal to the original structure -footing system in the mean squares sense. This equivalent frequency independent system then was used in the control algorithm. In the second part of this phase, an analytical approach was used to tackle the time delay phenomenon in the context of the predictive algorithm described in previous chapters. A generalized performance index was defined considering time delay. Minimization of the generalized performance index resulted into a modified version of the algorithm in which time delay is compensated explicitly. Unlike the time delay compensation technique used in the previous phases of this investigation, which restricts time delay to be an integer multiplier of the sampling period, the modified algorithm allows time delay to be any non-negative number. However, the two approaches produce the same results if time delay is an integer multiplier of the sampling period. For evaluating the proposed algorithm and comparing it with other algorithms, several numerical simulations were carried during the research by using MATLAB and its toolboxes. A few interesting results of these simulations are enumerated below: ARM A models are able to predict the response of both linear and non-linear structures to random inputs such as earthquakes. The proposed predictive optimal control based on ARMA models has produced better results in the context of reducing velocity, displacement, total energy and operational cost compared to classic optimal control. Proposed active control algorithm is very effective in increasing safety and comfort. Its performance is not affected much by errors in the estimation of system parameters (e.g. damping). The effect of soil-structure interaction on the response to control force is considerable. Ignoring SSI will cause a significant change in the magnitude of the frequency response and a shift in the frequencies of the maximum response (resonant frequencies). Compensating the time delay effect by the modified version of the proposed algorithm will improve the performance of the control system in achieving the control goal and reduction of the structural response.

Dans cette thèse, les problématiques de la modélisation et du contrôle robuste de l’attitude des grandes structures spatiales flexibles sont considérées. Afin de satisfaire les performances de pointage requises dans les scénarios des futures missions spatiales, nous proposons d’optimiser directement une loi de commande d’ordre réduit sur un modèle de validation d’ordre élevé et des critères qui exploitent directement la structure du modèle. Ainsi, les travaux de cette thèse sont naturellement divisés en deux parties : une partie relative à l’obtention d’un modèle dynamique judicieusement structuré du véhicule spatial qui servira à l’étape de synthèse ; une seconde partie concernant l’obtention de la loi de commande.Ces travaux sont illustrés sur l’exemple académique du système masses-ressort, qui est la représentation la plus simple d’un système flexible à un degré de liberté. En complément, un cas d’étude sur un satellite géostationnaire est traité pour valider les approches sur un exemple plus réaliste d’une problématique industrielle<br>In this thesis, modeling and robust attitude control problems of large flexible space structures are considered. To meet the required pointing performance of future space missions scenarios, we propose to directly optimize a reduced order control law on high order model validation and criteria that directly exploit the model structure. Thus, the work of this thesis is naturally divided into two parts : one part on obtaining a wisely structured dynamic model of the spacecraft to be used in the synthesis step, a second part about getting the law control. This work is illustrated on the example of the academic spring-masses system, which is the simplest representation of a one degree of freedom flexible system. In addition, a geostationary satellite study case is processed to validate developed approaches on a more realistic example of an industrial problem

Cette thèse examine l’impact de la structure actionnariale sur la structure du capital et la performance des banques commerciales européennes sur la période 2002-2010. Elle est composée de trois essais empiriques. Le premier chapitre teste l'effet de la divergence entre les droits de contrôle et les droits pécuniaires d'un actionnaire ultime sur l’ajustement du ratio du capital à son niveau optimal et sur l’offre de crédit par les banques. Les résultats montrent qu’en présence de divergence entre les droits de contrôle et les droits pécuniaires, les banques n’émettent pas du capital pour augmenter leur ratio et, au contraire, elles réduisent leur taille en ralentissant leur offre de prêts. Le chapitre 2 teste l’effet de cette divergence sur la rentabilité et le risque bancaires en temps normal et en temps de crise. Les résultats montrent que bien qu'une divergence entre les droits de contrôle et les droits pécuniaires soit associée en temps normal à une rentabilité plus faible et un risque plus élevé elle a, à contrario, amélioré la rentabilité et contribué à la résilience des banques pendant la crise financière de 2007-2008. Le troisième chapitre teste si le réseau des actionnaires auquel la banque est liée au sein d’une chaîne de contrôle affecte la relation entre la diversification et la performance. Les résultats montrent que la présence des investisseurs institutionnels dans les chaînes de contrôle aide les banques à tirer des bénéfices lorsqu’elles diversifient leurs activités<br>This dissertation examines the role of ownership structure in explaining capital structure and performance of European commercial banks from 2002 to 2010. It comprises three empirical essays. The first chapter explores the effect of greater control rights than cash-flow rights of an ultimate owner on the bank’s capital ratio adjustment and its lending decisions. The results show that whenever control rights exceed cash-flow rights, banks do not issue equity to increase their capital ratio and, instead, downsize by mainly slowing their lending. Chapter 2 provides evidence on how the divergence between control and cash-flow rights affects bank profitability and risk during normal times and distress times. The findings emphasize that during normal times the divergence between control and cash-flow rights is associated with lower profitability and higher risk. Conversely, during the acute financial crisis period (2007-2008), such a divergence improves profitability and banks’ resilience to shocks. The third chapter takes into account differences in the strength of ownership network to which banks belong when assessing the effect of greater activity diversification on bank performance. The results show that diseconomies of diversification vanish the stronger is the ownership network surrounding the bank in the control chain. Such mitigating roles are attributable to the presence of domestic and foreign institutional owners in the pyramid

Approved for public release; distribution is unlimited.<br>The objective of this research is to examine the fluid structure interaction (FSI) effect on composite sandwich structures under a low velocity impact. The primary sandwich composite used in this study was a 6.35-mm balsa core and a multi-ply symmetrical plain weave 6 oz E-glass skin. The specific geometry of the composite was a 305 by 305 mm square with clamped boundary conditions. Using a uniquely designed vertical drop-weight testing machine, there were three fluid conditions in which these experiments focused. The first of these conditions was completely dry (or air) surrounded testing. The second condition was completely water submerged. The final condition was a wet top/air-backed surrounded test. The tests were conducted progressively from a low to high drop height to best conclude the onset and spread of damage to the sandwich composite when impacted with the test machine. The measured output of these tests was force levels and multi-axis strain performance. The collection and analysis of this data will help to increase the understanding of the study of sandwich composites, particularly in a marine environment.

Ce travail présente de nouvelles méthodes pour extraire des informations structurales à partir d'une séquence en acides aminés et l'application de ces méthodes à la modélisation des protéines. Nous avons mis au point un algorithme d'alignement multiple pour des séquences protéiques basé sur l'algorithme de Needleman et Wunsch, mais qui n'est pas limité par le nombre et la taille des séquences protéiques à aligner. Nous avons développé une méthode de prédiction des structures secondaires, la Méthode des Homologues, basée sur les similarités entre peptides, qui prédit correctement 63% des résidus d'acides aminés, pour trois états. Cette méthode prédit correctement 87% des résidus d'une protéine homologue avec une protéine de la base de données. Nous avons utilisé un modèle simplifié de la chaîne polypeptique pour déterminer les limites des calculs par minimisation de l'énergie. Nous avons appliqué ces techniques à la modélisation des protéines de choc thermique (HSP90), du domaine liant l'ADN des protéines régulatrices FixK et Fnr et du domaine liant l'hème de la nitrate réductase de tabac.

Les stratifiés composites sont de plus en plus utilisés dans les pièces de structures des aéronefs ce qui fait émerger de nouvelles problématiques comme celle des Impacts de Faible Energie (IFE). En effet, bien qu’ils possèdent des propriétés rapportées à leur masse très intéressantes ces matériaux peuvent être vulnérables aux petits chocs. Or, compte tenu des nombreux paramètres influents lors d’un tel impact (énergie, vitesse, stratification...), les essais actuellement majoritairement privilégiés à l’échelle industrielle sont long et coûteux. Ainsi, l’apport de la simulation numérique pourrait être d’une grande aide pour les constructeurs. La pratique du « virtual testing », en particulier, permettrait d’aller dans cette direction ce qui aurait pour effet de rationaliser les campagnes d’essais et les coûts financier qui en découlent. Cependant, elle peine à être mise en place ici car le temps CPU nécessaire pour la simulation fine des ndommagements induits par les IFE est trop important avec les méthodes actuelles. Partant de ce constat, ce travail a consisté à tirer avantageusement partie de la localisation spatiale et temporelle des délaminages, fissurations matricielles et ruptures de fibres qui peuvent apparaître pendant l’impact pour diminuer le coût de calcul. Ainsi une méthode multiéchelle en espace et en temps a été mise en place. Elle consiste à découper la structure impactée en deux zones. L’une est située autour du point d’impact, elle contient l’ensemble des non-régularités du problème (contact, loi adoucissante, modèle de zone cohésive). Elle est traitée avec le code de dynamique explicite Europlexus. L’autre correspond à la partie complémentaire. Le problème mécanique y est beaucoup plus régulier et il est traité avec le code de dynamique implicite Zset/Zébulon. Un couplage peu intrusif basé sur la méthode GC est donc réalisé entre ces deux codes. Il permet d’utiliser une modélisation adaptée dans chacune des deux régions ce qui permet en particulier d’utiliser des pas de temps différents. Un rapport supérieur à 1000 peut ainsi être obtenu entre celui du code explicite fixé par la condition de stabilité et celui utilisé dans la partie complémentaire. Un gain de temps CPU significatif confirmé par la simulation d’un impact réalisé sur un panneau composite raidi est ainsi obtenu. Il est également montré que la répartition implicite/explicite peut évoluer au cours du calcul. Pour cela un mécanisme de bascule a été mis en place. Il permet ainsi de faire transiter la résolution d’une partie de la structure initialement traitée dans le code Zebulon dans Europlexus. Un gain de temps supplémentaire est alors obtenu grâce à cette méthode sur le même cas d’application<br>The composite laminates are increasingly used in aircraft structural parts which lead to new issues such as the Low Energy Impacts (LEI). Indeed, although they have well mechanical properties relative to their mass, small shocks may be very harmfull for laminates. Controlling such situations is essential for manufacturers that why lot of testing campaigns are currently performed. Yet, they are time consuming and expensive considering the many influential parameters (energy, speed, layup...). Numerical simulations of this phenomenon by practicing the so called “virtual testing” process could be really helpfull to rationalize testing campaigns in order to save money. Yet, this practice remain currently hard to do at the industrial scale due to the excessive CPU time required for fine simulation of damages induced by the LEI. Based on this observation, this work has consisted in taking advantage of the spatial and temporal location of delamination, matrix cracking and fiber breakage that can occur during impact in order to reduce the computational cost. Thus, a space and time multiscale method has been put in place. The impacted structure is split into two areas. One is located around the impacted point, it contains all the non-regularities of the problem (contact, softening law, cohesive zone model). This domain is treated with the explicit dynamics code Europlexus. The other one corresponds to the complementary part. The mechanical problem is much more regular and it is treated with the implicit dynamics code Zset / Zebulon. A low intrusive coupling based on the GC method is carried out between these two codes. It allows to use an adapted model in both regions different time step are in particular used. A time step ratio upper to 1000 can be reach between the one of the explicit code set by the stability condition and the one used in the complementary part. As a results, significant CPU time is saved. This is confirmed by the simulation of a stiffened composite panel impacted. It is also shown that the implicit / explicit allocation can change over the calculation. To do that, a switch mechanism has been established. It thus makes it possible to transit the resolution of a portion of the structure initially solved in the code Zebulon to Europlexus. As a results, further gain is obtained

The fluid-structure interactions of wall-mounted slender structures, such as cilia, filaments, flaps, and flags, play an important role in a broad range of physical processes: from the coherent waving motion of vegetation, to the passive flow control capability of hair-like surface coatings. While these systems are ubiquitous, their coupled nonlinear response exhibits a wide variety of behaviours that is yet to be fully understood, especially when multiple structures are considered. The purpose of this work is to investigate, via numerical simulation, the fluid-structure interactions of arrays of slender structures over a range of input conditions. A direct modelling approach, whereby the individual structures and their dynamics are fully resolved, is realised via a lattice Boltzmann-immersed boundary model, which is coupled to two different structural solvers: an Euler-Bernoulli beam model, and a finite element model. Results are presented for three selected test cases - which build in scale from a single flap in a periodic array, to a small finite array of flaps, and finally to a large finite array - and the key behaviour modes are characterised and quantified. Results show a broad range of behaviours, which depend on the flow conditions and structural properties. In particular, the emergence of coherent waving motions are shown to be closely related to the natural frequency of the array. Furthermore, this behaviour is associated with a lock-in between the natural frequency of the array and the predicted frequency of the fluid instabilities. The original contributions of this work are: the development and application of a numerical tool for direct modelling of large arrays of slender structures; the characterisation of the behaviour of slender structures over a range of input conditions; and the exposition of key behaviour modes of slender structures and their relation to input conditions.

Cette étude propose une application innovante de deux concepts très étudiés par la communauté mathématique, le fibré des k-repères et la connaxion de Cartan. D'une part, l'utilisation d'une connexion de Cartan particulière sur le fibré des 2-repères nous permet de proposer une généralisation de la notion de dérivée de Schwarz en dimension arbitraire, pour les difféomorphismes projectifs et conformes. D'une part, nous avons pu élaborer une structure de BRS permettant de reproduire infinitésimalement l'action des difféomorphismes sur des champs de jauge à un terme de courbure près. Ainsi, la notion de connexion de Cartan sur le fibré des 2-repère a permis de résoudre un problème ouvert, originellement formulé par A. M. Polyakov en 1990 qui obtient formellement l'action difféomorphismes (symétrie de l'espace-temps) à partir d'une transformation de jauge (symétrie interne). Les symétries d'espace-temps et les symétries internes peuvent ainsi être exprimées dans un formalisme similaire<br>This study proposes an innovation application of two concepts studied by the mathematical community, the k-frame bundle and the Cartan connection. On the one hand, the use os a special Cartan connection on the 2-frame bundle allows us to propose a generalization of the concept of Schwarzian derivative in arbitrary dimension for projective and conformal diffeomorphisms. On the other hand, we were albe to develop a BRS structure which reproduce infinitesimally the action of diffeomorphisms on gauge fields plus a curvature term. Hence, the notion of Cartan connection on the frame bundle of second order resolves a problem open since twenty years by A. M. Polyakov who obtains the action of diffeomorphisms (space-time summetry) from a gauge transformation (internal symmetry). The result was published and opens a new field of recherch. The space-times and internal symmetries can then be formalised thanks to the same formalism

<p> Methods for modeling structural failure with applications for fluid structure interaction (FSI) are developed in this work. Fracture as structural failure is modeled in this work by both the extended finite element method (XFEM) and element deletion. Both of these methods are used in simulations coupled with fluids modeled by computational fluid dynamics (CFD). The methods presented here allow the fluid to pass through the fractured areas of the structure without any prior knowledge of where fracture will occur. Fracture modeled by XFEM is compared to an experimental result as well as a test problem for two phase coupling. The element deletion results are compared with an XFEM test problem, showing the differences and similarities between the two methods. </p><p> A new method for modeling fracture is also proposed in this work. The new method combines XFEM and element deletion to provide a robust implementation of fracture modeling. This method integrates well into legacy codes that currently have element deletion functionality. The implementation allows for application by a wide variety of users that are familiar with element deletion in current analysis tools. The combined method can also be used in conjunction with the work done on fracture coupled with fluids, discussed in this work. </p><p> Structural failure via buckling is also examined in an FSI framework. A new algorithm is produced to allow for structural subcycling during the collapse of a pipe subjected to a hydrostatic load. The responses of both the structure and the fluid are compared to a non-subcycling case to determine the accuracy of the new algorithm. </p><p> Overall this work looks at multiple forms of structural failure induced by fluids modeled by CFD. The work extends what is currently possible in FSI simulations.</p>

What stance should we take toward our best scientific theories? Traditionally, there have been two answers: realism and antirealism. Structural realism is an attempt to find middle-ground between these two views. Rather than accept everything our best theories seem to say about the world, the structural realist endorses only what those theories tell us about the structure of the world. I argue that switching the focus to structure allows the realist to better deal with problems of theory-change, and to better make sense of contemporary physics. I go on to offer a specific version of structural realism based on an understanding of structures as networks of relations between objects that are nothing more than places in structures. My view allows that there are objects and relations, but reverses the usual order of dependence: objects depend on relations rather than the other way around.

Les blocs protéiques (BP) constituent un alphabet structural qui permettent une bonne approximation du squelette carbonnée des protéines et la compression de l'information 3D en 1D. Leur utilisation a permis d'appréhender sous un nouvel angle la structure des protéines. Cette thèse explore de nouvelles applications des BP pour l'analyse des structures des protéines, leur prédiction et la reconnaissance de leurs repliements. Dans un premier temps, nous utilisons les BP pour une caractérisation fine des régions variables dans les alignements structuraux de protéines homologues. Ces régions peuvent néanmoins présenter des similarités importantes en terme de conformation. Leur caractérisation a permis de les distinguer des régions dont les conformations sont différentes. Nous montrons aussi que les variations intrinsèques de certaines régions comme les boucles au sein d’une protéine ne sont pas corrélées aux différences de conformation observées dans les régions équivalentes entre protéines homologues. Dans une deuxième partie, nous analysons la relation séquence-structure à l'aide de BP par le biais d'une base de données de pentapeptides issus des structures des protéines. Celle-ci a servi de base pour la mise en place d'outils pour la prédiction du squelette carbonnée des protéines (PB-kPRED) et de sa plasticité (PB-SVindex). Nous exposons comment ces prédictions permettent la reconnaissance du repliement des protéines avec un certain succès et l'identification de probables points chauds structuraux et fonctionnels. En dernière partie, nous présentons un nouvel algorithme (FoRSA) pour la reconnaissance du repliement des protéines à l'aide des BP. Cet algorithme s'appuie sur le calcul de la probabilité conditionnelle qu'une séquence adopte un repliement donné et a été testé avec succès sur des protéines tirées de CASP10. Nous montrons que FoRSA peut être utilisé pour l'annotation structurale rapide de génomes entiers<br>Analysis of protein structures using structural alphabets has provided new insights into protein function and evolution. We have used a structural alphabet called proteins blocks (PBs) which efficiently approximates protein backbone and allows abstraction of 3D protein structures into 1D PB sequences. This thesis describes applications of PBs for protein structure analysis, prediction and fold recognition. First, PBs were used to provide a refined view of structurally variable regions (SVRs) in homologous proteins in terms of conformationally similar and dissimilar SVRs in which were compiled a database of structural alignments (DoSA). We also show that the inherent conformational variations in loop regions are not correlated to corresponding conformational differences in their homologues. Second, to further analyze sequence-structure relationships in terms of PBs and other structural features, we have set up a database of pentapeptides derived from protein structures. This served as a basis for the knowledge-based prediction of local protein structure in terms of PB sequences (PB-kPRED) and of local structure plasticity (PB-SVindex). We demonstrate the successful applications of PB-kPRED for fold recognition and explored possible identification of structural and functional hotspots in proteins using PB-SVindex. Finally, an algorithm for fold recognition using a structural alphabet (FoRSA) based on calculation of conditional probability of sequence-structure compatibility was developed. This new threading method has been successfully benchmarked on a test dataset from CASP10 targets. We further demonstrate the application of FoRSA for fast structural annotations of genomes

Les ARNs long non codants (ARNlnc) jouent un rôle clé dans les processus cellulaires vitaux, notamment le remodelage de la chromatine, la réparation de l'ADN et la traduction. Cependant, la taille et la complexité des ARNlnc présentent des défis sans précédent pour les études moléculaires mécanistiques, de sorte qu'il s'est avéré difficile jusqu'à présent de relier l'information structurelle à la fonction biologique pour les ARNlnc.Le gène 3 humain exprimé maternellement (de l’anglais "maternally expressed gene 3", MEG3), est un ARNlnc abondant, soumis à empreinte parentale et épissé alternativement. Pendant l'embryogenèse, MEG3 contrôle les protéines Polycomb, régulant la différenciation cellulaire, et dans les cellules adultes, MEG3 contrôle p53, régulant la réponse cellulaire aux stress environnementaux. Dans les cellules cancéreuses, MEG3 est régulé négativement, mais la surexpression ectopique de MEG3 réduit la prolifération incontrôlée, ce qui prouve que MEG3 agit comme un suppresseur de tumeur. Les données suggèrent que les fonctions de MEG3 pourraient être régulées par la structure de MEG3. Par exemple, on pense que MEG3 se lie directement aux protéines p53 et Polycomb. De plus, les différents variants d'épissage de MEG3, qui comprennent différents exons et possèdent ainsi des structures potentiellement différentes, présentent des fonctions différentes. Enfin, la mutagenèse par délétion, basée sur une structure de MEG3 prédit in silico, a permis d’identifier un motif MEG3 supposé structuré impliqué dans l'activation de p53. Cependant, au début de mes travaux, la structure expérimentale de MEG3 était inconnue.Pour comprendre la structure et la fonction de MEG3, j'ai utilisé des sondes chimiques in vitro et in vivo pour déterminer la structure secondaire de deux variants humains de MEG3 qui diffèrent par leurs niveaux d'activation de p53. À l'aide d'essais fonctionnels dans les cellules et de mutagenèse, j'ai systématiquement analysé la structure de MEG3 et identifié le noyau activant p53 dans deux domaines (D2 et D3) qui sont conservés structuralement dans les variants humains et conservés dans l’évolution chez les mammifères. Dans D2-D3, les régions structurales les plus importantes sont les hélices H11 et H27, car dans ces régions, j’ai pu supprimer l'activation de p53 grâce à des mutations ponctuelles, un degré de précision jamais atteint pour les autres ARNlnc jusqu’ici. J'ai découvert de manière surprenante que H11 et H27 sont reliés par des boucles connectées l’une à l’autre (de l’anglais "kissing loops") et j'ai confirmé l'importance fonctionnelle de ces interactions de structure tertiaire à longue distance par mutagenèse compensatoire. Allant au-delà de l’état de l’art, j'ai donc essayé de visualiser la structure 3D d’une isoforme de MEG3 longue de 1595 nucléotides, par diffusion de rayons X à petit angle (SAXS), microscopie électronique (EM) et microscopie à force atomique (AFM). Alors que le SAXS et l’EM sont limités par des défis techniques actuellement insurmontables, l’imagerie par AFM m’a permis d’obtenir la première structure 3D à basse résolution de MEG3 et de révéler son échafaudage tertiaire compact et globulaire. Plus remarquable encore, les mêmes mutations qui perturbent la connexion entre les «boucles» H11-H27 et qui inhibent la fonction de MEG3, perturbent aussi la structure 3D de cet ARNlnc, fournissant ainsi le premier lien direct entre la structure 3D et la fonction biologique pour un ARNlnc.Sur la base de mes découvertes, je peux donc proposer un mécanisme de l’activation de p53 basé sur la structure de MEG3, avec des implications importantes pour la compréhension de la cancérogenèse. Plus généralement, mes travaux prouvent que les relations structure-fonction des ARNlnc peuvent être disséquées avec une grande précision et ouvrent la voie à des études analogues visant à obtenir des informations mécanistes pour de nombreux autres ARNlnc d’importance médicale<br>Long non-coding RNAs (lncRNAs) are key players in vital cellular processes, including chromatin remodelling, DNA repair and translation. However, the size and complexity of lncRNAs present unprecedented challenges for mechanistic molecular studies, so that connecting structural information with biological function for lncRNAs has proven difficult so far.Human maternally expressed gene 3 (MEG3) is an abundant, imprinted, alternatively-spliced lncRNA. During embryogenesis MEG3 controls Polycomb proteins, regulating cell differentiation, and in adult cells MEG3 controls p53, regulating the cellular response to environmental stresses. In cancerous cells, MEG3 is downregulated, but ectopic overexpression of MEG3 reduces uncontrolled proliferation, proving that MEG3 acts as a tumour suppressor. Evidence suggests that MEG3 functions may be regulated by the MEG3 structure. For instance, MEG3 is thought to bind p53 and Polycomb proteins directly. Moreover, different MEG3 splice variants, which comprise different exons and thus possess potentially different structures, display different functions. Finally, deletion mutagenesis based on a MEG3 structure predicted in silico identified a putatively-structured MEG3 motif involved in p53 activation. However, at the beginning of my work, the experimental structure of MEG3 was unknown.To understand the MEG3 structure and function, I used chemical probing in vitro and in vivo to determine the secondary structure maps of two human MEG3 variants that differ in their p53 activation levels. Using functional assays in cells and mutagenesis, I systematically scanned the MEG3 structure and identified the p53-activating core in two domains (D2 and D3) that are structurally conserved across human variants and evolutionarily conserved across mammals. In D2-D3, the most important structural regions are helices H11 and H27, because in these regions I could tune p53 activation even by point mutations, a degree of precision never achieved for any other lncRNA to date. I surprisingly discovered that H11 and H27 are connected by “kissing loops”, and I confirmed the functional importance of these long-range tertiary structure interactions by compensatory mutagenesis. Going beyond state-of-the-art, I thus attempted to visualize the 3D structure of a 1595-nucleotide long MEG3 isoform by small angle X-ray scattering (SAXS), electron microscopy (EM), and atomic force microscopy (AFM). While SAXS and EM are limited by currently-insurmountable technical challenges, single particle imaging by AFM allowed me to obtain the first low resolution 3D structure of MEG3 and reveal its compact, globular tertiary scaffold. Most remarkably, functionally-disrupting mutations that break the H11-H27 “kissing loops” disrupt such MEG3 scaffold, providing the first direct connection between 3D structure and biological function for an lncRNA.Based on my discoveries, I can therefore propose a structure-based mechanism for p53 activation by human MEG3, with important implications in understanding carcinogenesis. More broadly, my work serves as proof-of-concept that lncRNA structure-function relationships can be dissected with high precision and opens the field to analogous studies aimed to gain mechanistic insights into many other medically-relevant lncRNAs

L’amélioration rapide du nombre de documents stockés électroniquement représente un défi pour la classification automatique de documents. Les systèmes de classification traditionnels traitent les documents en tant que texte plat, mais les documents sont de plus en plus structurés. Par exemple, XML est la norme plus connue et plus utilisée pour la représentation de documents structurés. Ce type des documents comprend des informations complémentaires sur l'organisation du contenu représentées par différents éléments comme les titres, les sections, les légendes etc. Pour tenir compte des informations stockées dans la structure logique, nous proposons une approche de représentation des documents structurés basée à la fois sur la structure logique du document et son contenu textuel. Notre approche étend le modèle traditionnel de représentation du document appelé modèle vectoriel. Nous avons essayé d'utiliser d'information structurelle dans toutes les phases de la représentation du document: -procédure d'extraction de caractéristiques, -La sélection des caractéristiques, -Pondération des caractéristiques. Notre deuxième contribution concerne d’appliquer notre approche générique à un domaine réel : classification des documents techniques. Nous désirons mettre en œuvre notre proposition sur une collection de documents techniques sauvegardés électroniquement dans la société CONTINEW spécialisée dans l'audit de documents techniques. Ces documents sont en format représentations où la structure logique est non accessible. Nous proposons une solution d’interprétation de documents pour détecter la structure logique des documents à partir de leur présentation physique. Ainsi une collection hétérogène en différents formats de stockage est transformée en une collection homogène de documents XML contenant le même schéma logique. Cette contribution est basée sur un apprentissage supervisé. En conclusion, notre proposition prend en charge l'ensemble de flux de traitements des documents partant du format original jusqu’à la détermination de la ses classe Dans notre système l’algorithme de classification utilisé est SVM<br>Rapid improvement in the number of documents stored electronically presents a challenge for automatic classification of documents. Traditional classification systems consider documents as a plain text; however documents are becoming more and more structured. For example, XML is the most known and used standard for structured document representation. These documents include supplementary information on content organization represented by different elements such as title, section, caption etc. We propose an approach on structured document classification based on both document logical structure and its content in order to take into account the information present in logical structure. Our approach extends the traditional document representation model called Vector Space Model (VSM). We have tried to integrate structural information in all phases of document representation construction: -Feature extraction procedure, -Feature selection, -Feature weighting. Our second contribution concerns to apply our generic approach to a real domain of technical documentation. We desire to use our proposition for classifying technical documents electronically saved in CONTINEW; society specialized in technical document audit. These documents are in legacy format in which logical structure is inaccessible. Then we propose an approach for document understanding in order to extract documents logical structure from their presentation layout. Thus a collection of heterogeneous documents in different physical presentations and formats is transformed to a homogenous XML collection sharing the same logical structure. Our contribution is based on learning approach where each logical element is described by its physical characteristics. Therefore, our proposal supports whole document transformation workflow from document’s original format to being classified. In our system SVM has been used as classification algorithm

This report presents the work done within the framework of my master thesis in the program Infrastructure Engineering at KTH Royal Institute of Technology, Stockholm. This project has been proposed and sponsored by the French company Setec TPI, part of the Setec group, located in Paris. The overall goal of this study is to investigate fluid-structure interaction and particularly sloshing in liquid-containing structures subjected to seismic or other dynamic action. After a brief introduction, the report is composed of three main chapters. The first one presents and explains fluid-structure interaction equations. Fluid-structure interaction problems obey a general flow equation and several boundary conditions, given some basic assumptions. The purpose of the two following chapters is to solve the corresponding system of equations. The first approach proposes an analytical solution: the problem is solved for 2D rectangular tanks. Different models are considered and compared in order to analyze and describe sloshing phenomenon. Liquid can be decomposed in two parts: the lower part that moves in unison with the structure is modeled as an impulsive added mass; the upper part that sloshes is modeled as a convective added mass. Each of these two added mass creates hydrodynamic pressures and simple formulas are given in order to compute them. The second approach proposes a numerical solution: the goal is to be able to solve the problem for any kind of geometry. The differential problem is resolved using a singularity method and Gauss functions. It is stated as a boundary integral equation and solved by means of the Boundary Element Method. The linear system obtained is then implemented on Matlab. Scripts and results are presented. Matlab programs are run to solve fluid-structure interaction problems in the case of rectangular tanks: the results concur with the analytical solution which justifies the numerical solution. This report gives a good introduction to sloshing phenomenon and gathers several analytical solutions found in the literature. Besides, it provides a Matlab program able to model effects of sloshing in any liquid-containing structures.

Recherche de relations structure-activite pour une serie de nitro-naphtofurannes. Ces composes, doues de proprietes pharmacologiques etendues (bactericides, amibicides, protoozides, etc. . . ) sont avant tout des agents mutagenes. Nous avons effectue l'etude structurale (par diffraction des rayons x) et electronique (par des methode semi-empiriques telles que cndo/2, vss) de derives diversement substitues. L'utilisation de methode d'analyse de donnees (analyse en composantes principales, analyse discriminante) a permis d'etablir des correlations entre activite biologique et parametres electroniques (en particulier, les potentiels electrostatiques moleculaires au voisinage du groupement nitro). Enfin, pour le compose de reference (r 7000), une determination experimentale de la densite de charges a ete realisee, par diffraction des rayons x, a basse temperature

Cette these developpe, au moyen de methodes algebriques, des interactions inattendues entre theorie des modeles et theorie de la demonstration. D'une part, on etudie une notion generale de categorie algebriquement structuree qui recouvre toutes ls logiques non classiques connues; et on applique ceci entre autres au polymorphisme des types. D'autre part, on explore par des calculs au niveau des theories (ou esquisses) diverses proprietes des categories de categories de modeles, obtenant ainsi des domaines qui generalisent ceux de la semantique denotationnelle a la scott

Une méthode simplifiée pour l'analyse des structures massives est proposée; elle a pour but une évaluation rapide des déplacements et des contraintes au sein d'assemblage de structures avec contacts éventuellement unilatéraux. Cette méthode est développée à partir d'un couplage entre la méthode à grand incrément de temps et une méthode de décomposition de domaine. L'originalité de la méthode de décomposition de domaine est de considérer la liaison (interne parfaite, a déplacement impose, bilatérale, élastique, boulonnée, contact unilatéral avec ou sans frottement,. . . ) Entre les sous-domaines a la fois d'un point de vue statique et cinématique. Le problème au niveau global n'est pas résolu par la méthode des éléments finis classique, mais par une approche utilisant les fonctions de Trefftz, en faisant le meilleur compromis possible entre richesse de l'élément et complexité de mise en œuvre. Le processus, itératif, est pilote par un indicateur de convergence de la méthode. Un logiciel prototype a été mis en œuvre pour des structures 2d axisymétriques. Plusieurs exemples sont présentés dont un, en collaboration avec l'aérospatiale-les-Mureaux, concerne l'étude d'assemblage de structures axisymétriques avec différents types de brides supposées élastiques, incluant du contact unilatéral et du frottement. Les résultats obtenus permettent de valider la méthode proposée.

<p>This thesis covers the process from expression of a heterologous gene in Escherichia coli to structure determination of a protein by nuclear magnetic resonance (NMR) spectroscopy. </p><p>The first part concerns structural genomics-related parallel screening studies on the effect of fusion tags (in particular the His tag) on protein solubility and the use of fusion tags in fast, parallel purification protocols intended for initial biophysical characterization of human proteins produced in E. coli. It was found that for most proteins the His tag has a negative influence on protein solubility. This influence appears to be more pronounced for our C-terminal His tag than for the N-terminal His tags used in this study. Moreover, high ratios of soluble per total protein do not always guarantee a high yield of soluble protein after purification, as different vector - target protein combinations result in large differences in host cell growth rates. Protein purification protocols for different fusion tags were developed that make it possible to express, purify and study structural properties of low concentration samples of 15N-labeled proteins in one or two days. </p><p>The second part of this thesis describes the assignment and solution structure determination of ribosomal protein L18 of Thermus thermophilus. The protein is a mixed α/β structure with two α-helices on one side of a four-stranded β-sheet. Comparison to RNA-bound L18 showed that the protein to a large extent adopts identical structures in free and bound states, with exception of the loop regions and the flexible N-terminus.</p><p><b>Keywords:</b> protein production, protein solubility, fusion tags, nuclear magnetic resonance, structure determination, ribosomal protein</p>

Deux familles d'aldéhyde déshydrogénases (ALDH) phylogénétiquement et structuralement distinctes catalysent l'oxydation des aldéhydes : les ALDH phosphorylantes et les ALDH non phosphorylantes. Ces enzymes jouent un rôle essentiel au niveau cellulaire en intervenant au niveau du métabolisme et dans des processus de détoxication. En 2003, la résolution de la structure tridimensionnelle de l'enzyme bifonctionnelle 4-hydroxy-2-cétovalérate aldolase/acétaldéhyde déshydrogénase (DmpFG) de Pseudomonas sp. CF600 a permis l'identification d'une nouvelle famille d'ALDH : la sous-unité DmpF étant structuralement apparentée aux ALDH phosphorylantes alors qu'elle présente une activité de type non phosphorylante CoA-dépendante. Par la caractérisation enzymatique et structurale des orthologues MhpEF issus d'Escherichia coli et de Thermomonospora curvata, nos travaux montrent que les paramètres cinétiques de MhpF ne dépendent pas de son état oligomérique, ce qui est cas unique pour les ALDH. De plus, la résolution des structures cristallographiques de l'enzyme complexée avec du NAD+ ou du CoA, couplée à la structure en solution de la forme apoenzyme obtenue par SAXS montrent que le Rossmann fold s'accomode de la présence des cofacteurs par un vaste changement conformationnel. Enfin, l'étude du mécanisme catalytique et la résolution de la structure thioacylenzyme permettent d'identifierla MhpF comme étant un hybride des deux familles d'ALDH caractérisées jusqu'à présent<br>Two phylogenetically and structurally unrelated families of NAD(P)-dependent aldehyde dehydrogenases (ALDH) catalyze the oxidation of aldehydes into activated or non-activated acids. These enzymes are known to be involved in many biological functions such as cellular differentiation, central metabolism, or detoxification pathways. The crystal structure of the bifunctional enzyme, 4-hydroxy-2-ketovalerate aldolase (DmpG)/acetaldehyde dehydrogenase (DpmF) from Pseudomonas sp. CF600, leads to the identification of a new ALDH family. The DmpF subunit exhibits a non-phosphorylating CoA-dependent aldehyde dehydrogenase activity while its structure belongs to the phosphorylating ALDH superfamily. The kinetics of the MhpEF orthologs from Escherichia coli and Thermomonospora curvata show that the kinetic parameters of MhpF do not depend of its oligomeric state, which is unique for an ALDH. In addition, the crystal structures of the enzyme with NAD+ or CoA, as well as the solution structure of the apoenzyme using SAXS, reveal the dynamics of the overall Rossmann fold between apo or cofactors-bound conformers, which is necessary to carry on the catalytic cycle. Finally, the catalytic mechanism and the structure of the thioacylenzyme intermediates indicate that MhpF is a hybrid between both ALDH families characterized to date

An exploration of the cprrelations between melting point and molecular and crystal structures has been made. The research was based on a training set with 100 compounds in which the molecular structures contain one common, core unit with two various terminal groups. Previous work by Dr Gelbrich of our group confirmed that the crystal structures of the training set comprise 56 different structure types containing nine different types of hydrogen bonding arrangements. The investigation was divided in three main parts which focused on (1) the effect of molecular structures pn melting point, (2) the influence of different crystal structures on melting point and (3) a statistical approach to the correlation of melting point with chemical descriptors derived from molecular and crystal structures. Part one focused on exploring how the two terminal groups affect a compound's melting point. The result showed that N02, CN and, I groups at both R1 and R2 positions cause a high meting point whilst Mea, Hand F are related to the low melting point samples. In part two, the crystal structures ofcompounds with two dominant types ofH-bond were explored. The detailed analysis involved attempting to identify and assess all potential intermolecular interactions. Moreover a two-dimensional fingerprint plot generated from Hirshfeld surface has been used to give a better understanding on intermolecular interactions within a crystal structure. In part 3, three melting point prediction equations based on molecular descriptors (R2=41.70%, S=28.5056), crystal structure descriptors (R2=37.00%, S=29.1297) and combined descriptors (R2=54.10%, S=25.4277) respectively.

Long, thin, flexible cylindrical elements of large scale structures are heavily influenced by the fluid flow around them. Equally, their movement has an appreciable effect on the fluid flow. This two-way interaction leads to complex dynamic behaviour that can cause fatigue and thus reduce operational lifetime. As demand for longer span bridges and drilling in deeper marine environments increases, research into the best modelling practice of this scenario gains importance. The work described in this thesis establishes a suitable method to model in CFD aero/hydro-elastic behaviour of slender cylindrical elements in large scale structures. In order to achieve this outcome, the author has: modelled the drag crisis on a static cylindrical element; developed a suitable FSI coupling program; combined the drag crisis model with the FSI coupling program and validate against published experimental data. The turbulence formulation used was carefully chosen taking into account the flow features that are important to the onset of the drag crisis. An LES formulation capable of adapting the model constant of the SGS model according to local shear conditions was identied as the best candidate to achieve this aim. The fluid and structural solvers used were loosely coupled by an explicit method that achieved a balance of kinetic energy as well as matching displacement at the moving fluid/solid interface. The integration method and implementation of this coupling strategy was verified by running a test case at low Reynolds number that produced a regular sinusoidal lift function on the cylinder that was kept stationary. The displacement, velocity, and acceleration response produced by the structural solver was compared against a closed solution and found to match with an acceptable level of error. A number of FSI simulations with the cylinder free to move in the cross-flow direction only was carried out. The displacement response was compared against published numerical and experimental data and the importance of having a sufficient spanwise dimension of flow domain was highlighted. Simulations with the cylinder free to move in the along-flow direction aswell as cross-flow direction were carried out. In some simulations where lock-in was observed, the effect of the drag crisis was clearly seen. Energy entered into the system as a result of low drag on the upstream motion of the cylinder caused by the drag crisis. More simulations at different velocities are recommended to define a displacement response curve and make further new observations.

Fluid-structure interaction (FSI) is an important physical phenomenon in many applications and across various disciplines including aerospace, civil and bio-engineering. In civil engineering, applications include the design of wind turbines, pipelines, suspension bridges and offshore platforms. Ocean structures such as drilling risers, mooring lines, cables, undersea piping and tension-leg platforms can be subject to strong ocean currents, and such structures may suffer from Vortex-Induced Vibrations (VIV's), where vortex shedding of the flow interacts with the structural properties, leading to large amplitude vibrations in both in-line and cross-flow directions. Over the past years, many experimental and numerical studies have been conducted to comprehend the underlying physical mechanisms. However, to date there is still limited understanding of the effect of oscillatory interactions between fluid flow and structural behavior though such interactions can cause large deformations. This research proposes a mathematical framework to accurately predict FSI for elastically supported rigid structures. The numerical method developed solves the Navier-Stokes (NS) equations for the fluid and the Equation of Motion (EOM) for the structure. The proposed method employs Finite Differences (FD) on Cartesian grids together with an improved, efficient and oscillation-free Immersed Boundary Method (IBM), the accuracy of which is verified for several test cases of increasing complexity. A variety of two and three dimensional FSI simulations are performed to demonstrate the accuracy and applicability of the method. In particular, forced and a free vibration of a rigid cylinder including Vortex-Induced Vibration (VIV) of an elastically supported cylinder are presented and compared with reference simulations and experiments. Then, the interference between two cylinders in tandem arrangement at two different spacing is investigated. In terms of VIV, three different scenarios were studied for each cylinder arrangement to compare resonance regime to a single cylinder. Finally, the IBM is implemented into a three-dimensional Large-Eddy Simulation (LES) method and two high Reynolds number (Re) flows are studied for a stationary and transversely oscillating cylinder. The robustness, accuracy and applicability of the method for high Re number flow is demonstrated by comparing the turbulence statistics of the two cases and discussing differences in the mean and instantaneous flows.

This thesis investigates the blast response of simple structural components - fully clamped beams and plates - underwater and in air. Experimental work by others have shown that, with increasing loading intensity, these components deform in one of either three modes: mode I (large inelastic deformation), mode II (tensile tearing) or mode III (transverse shear failure). The aim of this thesis is to develop theoretical and numerical models that can accurately predict these damage modes, taking into account the effects of fluid-structure interactions, for both impulsive and non-impulsive blast loadings A fully-clamped ductile beam model is proposed that is capable of capturing large elasto-plastic deformation, progressive damage and failure through detachment from its supports. Predictions by the model were validated against experimental data in the literature and with finite element models developed in this thesis. Parametric studies were also performed to elucidate the effects of loading duration on the mode of deformation and the conditions governing their transition. Numerical evidence on elimination of pulse-shape effects using an effective rectangular pulse loading (Youngdahl's approach) has been provided. The effects of uid-structure interaction (FSI) are investigated for fully-clamped, elasto-plastic beams in deep underwater explosions and intense air blast loadings. The main objective is to understand how the introduction of fully-clamped clamped supports alter existing well known results grounded on rigid, free-standing counterpart; and, to quantify how different modes of deformation affects the impulse and energy transmitted to the structure by the blast wave. Sensitivity analyses were carried out to elucidate the dependence of the results on the beam's aspect ratio and inertial mass. The deformation and failure of fully clamped rectangular plates subjected to blast loading are modelled numerically using finite element method. The numerical results are validated against experimental data. Deformation maps delineating the different deformation regimes for different combinations of blast impulse and aspect ratio are constructed for plates of equal mass. The effects of imposing a finite period, as opposed to a zero-period, pressure pulse upon the deformation mode and maximum deflection are discussed.

Thesis (M.Eng.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 1998.<br>Includes bibliographical references (p. 113-115).<br>by Cyrus Phiroze Master.<br>M.Eng.

Polyesters are an attractive class of polymer that can be readily modified with a wide range of different comonomers, during polymerization or with melt blending, to achieve a wide variety of physical properties. This research primarily focuses on polyesters that incorporate rigid aromatic structures that have excellent potential to enhance thermal and mechanical properties. Copolyesters were prepared through melt polycondensation of diesters and diols in the presence of an exchange catalyst. Monomer incorporation was verified with nuclear magnetic resonance (NMR) and molecular weights were obtained by measuring inherent viscosity (ninh). Physical properties were assessed with thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA) and rheology. Mechanical properties were assessed with tensile and impact testing. Copolyesters of poly(ethylene terephthalate) (PET) were synthesized by substituting dimethyl terephthalate (DMT) with dimethyl 4,4'-biphenyldicarboxylate (4,4'BB) resulting in enhanced glass transition (Tg) temperatures relative to PET while affording melting temperatures (Tm) low enough to allow facile melt processing. Further modification with dimethyl isophthalate (DMI) or dimethyl 3,4'-biphenyldicarboxylate (3,4'BB) slowed crystallization sufficiently to allow biaxial orientation, leading to further studies assessing the permeability of oriented films. Novel amorphous polyesters were synthesized with 3,4'BB or 4,4'BB in combination with neopentyl glycol (NPG), 1,4-cyclohexandimethanol (CHDM) and ethylene glycol (EG). Use of multiple diols produced clear, amorphous copolyesters with Tgs as high at 129 C. A series of novel high temperature(Tm) copolyesters were synthesized from dimethyl 2,6-naphthalenedicarboxylate (DMN) and 4,4'BB combined with CHDM. Studies were performed with standard DSC and thin film calorimetry to show the convergence of multiples melting endotherms in an effort to determine their origin. Preliminary work was performed on the modification of poly(1,4-cyclohexylenedimethylene terephthalate) (PCT), poly(1,4-cyclohexylenedimethylene 2,6-naphthalate) (PCN) and poly(1,4-cyclohexylenedimethylene 4,4'-bibenzoate) (PCB) with dimethyl p-terphenyl-4,4''-dicarboxylate.<br>PHD

This thesis addresses a difficult problem in text processing: creating a System to automatically derive rhetorical structures of text. Although the rhetorical structure has proven to be useful in many fields of text processing such as text summarisation and information extraction, Systems that automatically generate rhetorical structures with high accuracy are difficult to find. This is beccause discourse is one of the biggest and yet least well defined areas in linguistics. An agreement amongst researchcrs on the best method for nnalysing thc rhetorical structure of text has not been found. This thesis focuses on investigating a method to generate the rhetorical structures of text. By exploiting different cohesive devices, it proposes a method to recognise rhetorical relations between spans by checking for the appearance of these devices. These factors include cue phrases, noun-phrase cues, verb-phrase cues, reference words, time references, substitution words, ellipses, and syntactic information. The discourse analyser is divided into two levels: sentence-level and text-level. The former uses syntactic information and cue phrases to segment sentences into elementary discourse units and to generate a rhetorical structure for each sentence. The latter derives rhetorical relations between large spans and then replaces each sentence by its corresponding rhetorical structure to produce the rhetorical structure of text. The rhetorical structure at the text-level is derived by selecting rhetorical relations to connect adjacent and non-overlapping spans to form a discourse structure that covers the entire text. Constraints of textual organisation and textual adjacency are effectively used in a beam search to reduce the search space in generating such rhetorical structures. Experiments carried out in this research received 89.4% F-score for the discourse segmentation, 52.4% F-score for the sentence-level discourse analyser and 38.1% F-score for the final output of the System. It shows that this approach provides good performance cumparison with current research in discourse.