Theoretical analysis of the structural deformation in Mn-doped BaTiO3

An alternative theoretical method to simulate the structural deformation induced by Mn-doping in BaTiO3 is proposed. The periodic quantum-mechanical method is based on density functional theory at B3LYP level. The structural models were obtained from Rietveld refinement of the undoped and Mn doped BaTiO3 X-ray diffraction data. This modelization gives access to the dopant General effect on the electronic structure. In fact, the influence of the doing element itself on the electronic configuration is barely local: therefore, it is not included in the simulation. The simplicity of the model makes it available for working within a wide range of materials.(C) 2004 Published bv Elsevier B.V.

BaZrO3 Photoluminescence Property: An Ab Initio Analysis of Structural Deformation and Symmetry Changes

This article reports a theoretical study based on experimental results for barium zirconate, BaZrO3 (BZ) thin films, using periodic mechanic quantum calculations to analyze the symmetry change in a structural order-disorder simulation. Four periodic models were simulated using CRYSTAL98 code to represent the ordered and disordered BZ structures. The results were analyzed in terms of the energy level diagrams and atomic orbital distributions to explain and understand the BZ photoluminescence properties (PL) at room temperature for the disordered structure based on structural deformation and symmetry changes. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 111: 694-701, 2011

Structural deformation monitored by vibrational properties and orbital modeling in (Pb,Sm)TiO3 systems

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Modelling Structural Flexure Effects in CPV Sun Trackers

Nowadays CPV trends mostly based in lens parqueted flat modules, enable the separate design of the sun tracker. To enable this possibility a set of specifications is to be prescribed for the tracker design team, which take into account fundamental requisites such as the maximum service loads both permanent and variable, the sun tracking accuracy and the tracker structural stiffness required to maintain the CPV array acceptance angle loss below a certain threshold. In its first part this paper outlines the author’s approach to confront these issues. Next, a method is introduced to estimate the acceptance angle losses due to the tracker’s structural flexure, which in last instance relies in the computation of the minimum enclosing circle of a set of points in the plane. This method is also useful to simulate the drifts in the tracker’s pointing vector due to structural deformation as a function of the aperture orientation angle. Results of this method when applied to the design of a two axis CPV pedestal tracker are presented.

Caracterização e modelação de fissuras em edifícios utilizando 3D laser scanning, com vista à sua reabilitação

Trabalho Final de Mestrado para obtenção do grau de Mestre em Engenharia Civil

Groundwater vulnerability and protection in County Tipperary (South Riding), Ireland

The aim of the project was to determine the extent and quality of the groundwater in Tipperary South Riding with a view to developing a groundwater protection plan which would allow the Local Authority to manage, protect and develop the groundwater as efficiently as possible. The geology of the area varies with topography. The low-lying areas of the county comprise mainly Carboniferous limestones while the elevated regions consist of sandstones and shales of Upper Carboniferous, Devonian and Silurian ages. Deformation of these rocks decreases in magnitude moving northwards over the area; the Southern Synclines having suffered the effects of the Hercynian orogeny and the northern region exhibiting Caledonian orogenic trends. Quaternary (subsoil) deposits are found throughout the area and are of variable thickness and permeability. Till is the most widespread deposit with discontinuous pockets of sand and gravel in various proportions, and some marl, alluvium and peat in places. The principal aquifers of the area are the Kiltorcan sandstone formation and various limestone units within the Carboniferous succession. 50 % of south Tipperary constitutes either regionally or locally important aquifers. Secondary permeabilities created by structural deformation, dolomitisation, karstification and weathering processes create high transmissivities and often have large well yields. Specific baseflow analysis highlighted the complexity of the aquifers and proved that the lower part of the Suir river system is a major groundwater resource region. The hydrochemistry and water quality of the local authority groundwater sources was examined briefly. The majority of south Tipperary is underlain by limestone or Quaternary deposits derived from limestone and, consequently, calcium/magnesium bicarbonate waters predominate. The quality of the groundwater in south Tipperary demonstrates that the main concern originates from the presence of E.coli, and Total coliforms. The primary sources of contamination are from farmyard wastes and septic tanks. The vulnerability of groundwater to diffuse and point sources of pollution has been found to be dependent on the overlying soil, subsoil and the thickness of the unsaturated zone. A conceptual rather than quantitative approach is used and it is found that approximately 60% of south Tipperary is designated as being extremely or highly vulnerable. The groundwater protection plan was devised subsequent to an understanding of the aquifer systems, an assessment of the vulnerability, and a review of the Irish planning system and environmental law. It is recommended that the plan be integrated into the county development plan for legislative purposes. A series of acceptability matrices were devised to restrict potentially polluting activities in vulnerable areas while maintaining a balance between protection of the groundwater resource and the need to site essential developments.

Caracteritació de models funcionals d'àmfores romanes mitjançant Finite Element Analysis

Projecte de recerca elaborat a partir d’una estada al Laboratory of Archaeometry del National Centre of Scientific Research “Demokritos” d’Atenes, Grècia, entre juny i setembre 2006. Aquest estudi s’emmarca dins d’un context més ampli d’estudi del canvi tecnològic que es documenta en la producció d’àmfores de tipologia romana durant els segles I aC i I dC en els territoris costaners de Catalunya. Una part d’aquest estudi contempla el càlcul de les propietats mecàniques d’aquestes àmfores i la seva avaluació en funció de la tipologia amforal, a partir de l’Anàlisi d’Elements Finits (AEF). L’AEF és una aproximació numèrica que té el seu origen en les ciències d’enginyeria i que ha estat emprada per estimar el comportament mecànic d’un model en termes, per exemple, de deformació i estrès. Així, un objecte, o millor dit el seu model, es dividit en sub-dominis anomenats elements finits, als quals se’ls atribueixen les propietats mecàniques del material en estudi. Aquests elements finits estan connectats formant una xarxa amb constriccions que pot ser definida. En el cas d’aplicar una força determinada a un model, el comportament de l’objecte pot ser estimat mitjançant el conjunt d’equacions lineals que defineixen el rendiment dels elements finits, proporcionant una bona aproximació per a la descripció de la deformació estructural. Així, aquesta simulació per ordinador suposa una important eina per entendre la funcionalitat de ceràmiques arqueològiques. Aquest procediment representa un model quantitatiu per predir el trencament de l’objecte ceràmic quan aquest és sotmès a diferents condicions de pressió. Aquest model ha estat aplicat a diferents tipologies amforals. Els resultats preliminars mostren diferències significatives entre la tipologia pre-romana i les tipologies romanes, així com entre els mateixos dissenys amforals romans, d’importants implicacions arqueològiques.

Préparation d'échantillons pour l'étude par GISAXS des mécanismes de déformation des matériaux par faisceaux d'ions lourds de haute énergie.

Le mécanisme menant à des déformations structurales suivant le bombardement d'échantillons de a-Si d'un faisceau d'ions lourds et rapides est sujet de controverses. Nous nous sommes penchés sur l'hypothèse de la formation d'une zone liquide causée par la déposition d'énergie des ions incidents dans le contexte de la théorie du pic thermique. Des échantillons de silicium amorphe furent préparés dans le but d'observer les indices d'une transition de phase l-Si/a-Si suivant la déposition locale d'énergie sur le parcours d'un ion lourd énergétique dans le a-Si. Les échantillons furent implantés d'impuretés de Cu ou d'Ag avant d'être exposés à un faisceau d'ions Ag12+ de 70 MeV. L'utilisation de l'analyse GISAXS est projetée afin d'observer une concentration locale d'impuretés suivant leur ségrégation sur la trace de l'ion. Des masques d'implantation nanométriques d'oxide d'aluminium ont été fabriqués afin d'augmenter la sensibilité de l'analyse GISAXS et une méthode d'alignement de ces masques selon la direction du faisceau fut développée. Le bombardement d'échantillons au travers de ces masques a donné lieu à un réseau de sites d'impacts isolés presque équidistants.

Experimental and theoretical studies on the enhanced photoluminescence activity of zinc sulfide with a capping agent

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Towards controlled synthesis and better understanding of blue shift of the CaS crystals

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo do meio físico e caracterização da capacidade de suporte natural da região de Pirassununga/SP

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Hydroelastic impacts of deformable wedges

This work investigates the slamming phenomenon experienced during the water entry of deformable bodies. Wedges are chosen as reference geometry due to their similarity to a generic hull section. Hull slamming is a phenomenon occurring when a ship re-enters the water after having been partially or completely lifted out the water. While the analysis of rigid structures entering the water has been extensively studied in the past and there are analytical solutions capable of correctly predicting the hydrodynamic pressure distribution and the overall impact dynamics, the effect of the structural deformation on the structural force is still a challenging problem to be solved. In fact, in case of water impact of deformable bodies, the dynamic deflection could interact with the fluid flow, changing the hydrodynamic load. This work investigates the hull-slamming problem by experiments and numerical simulations of the water entry of elastic wedges impacting on an initially calm surface. The effect of asymmetry due to horizontal velocity component or initial tilt angle on the impact dynamics is also studied. The objective of this work is to determine an accurate model to predict the overall dynamics of the wedge and its deformations. More than 1200 experiments were conducted by varying wedge structural stiffness, deadrise angle, impact velocity and mass. On interest are the overall impact dynamics and the local structural deformation of the panels composing the wedge. Alongside with the experimental analysis, numerical simulations based on a coupled Smoothed Particle Hydrodynamics (SPH) and FEM method are developed. The experimental results provide evidence of the mutual interaction between hydrodynamic load and structural deformation. It is found a simple criterion for the onset of fluid structure interaction (FSI), giving reliable information on the cases where FSI should been taken into account.

Estudio teórico-experimental para la mejora de la resistencia estructural de autocares basado en el diseño de uniones y asientos

La presente tesis analiza la mejora de la resistencia estructural ante vuelco de autocares enfocando dos vías de actuación: análisis y propuestas de requisitos reglamentarios a nivel europeo y la generación de herramientas que ayuden al diseño y a la verificación de estos requisitos. Los requisitos reglamentarios de resistencia estructural a vuelco contemplan la superestructura de los vehículos pero no para los asientos y sistemas de retención. La influencia de los pasajeros retenidos es superior a la incluida en reglamentación (Reg. 66.01) debiendo considerarse unida al vehículo un porcentaje de la masa de los pasajeros del 91% para cinturón de tres puntos y del 52% para cinturón subabdominal frente al 50% reglamentario para todos los casos. Se ha determinado la cinemática y dinámica del vuelco normativo en sus diferentes fases, formulando las energías en las fases iniciales (hasta el impacto contra el suelo) y determinando la fase final de deformación a través del análisis secuencial de ensayos de módulos reales. Se han determinado los esfuerzos para los asientos que se dividen en dos fases diferenciadas temporalmente: una primera debida a la deformación estructural y una segunda debida al esfuerzo del pasajero retenido que se produce en sentido opuesto (con una deceleración del pasajero en torno a 3.3 g). Se ha caracterizado a través de ensayos cuasi.estáticos el comportamiento de perfiles a flexión y de las uniones estructurales de las principales zonas del vehículo (piso, ventana y techo) verificándose la validez del comportamiento plástico teórico Kecman.García para perfiles de hasta 4 mm de espesor y caracterizando la resistencia y rigidez en la zona elástica de las uniones en función del tipo de refuerzo, materiales y perfiles (análisis de más de 180 probetas). Se ha definido un método de ensayo cuasi.estático para asientos ante esfuerzos de vuelco, ensayándose 19 butacas y determinándose que son resistentes (salvo las uniones a vehículo con pinzas), que son capaces de absorber hasta más de un 17% de la energía absorbida, aunque algunos necesitan optimización para llegar a contribuir en el mecanismo de deformación estructural. Se han generado modelos simplificados para introducir en los modelos barra.rótula plástica: un modelo combinado unión+rótula plástica (que incluye la zona de rigidez determinada en función del tipo de unión) para la superestructura y un modelo simplificado de muelles no.lineales para los asientos. Igualmente se ha generado la metodología de diseño a través de ensayos virtuales con modelos de detalle de elementos finitos tanto de las uniones como de los asientos. Se ha propuesto una metodología de diseño basada en obtener el “mecanismo óptimo de deformación estructural” (elevando la zona de deformación lateral a nivel de ventana y en pilar o en costilla en techo). Para ello se abren dos vías: diseño de la superestructura (selección de perfiles y generación de uniones resistentes) o combinación con asientos (que en lugar de solo resistir las cargas pueden llegar a modificar el mecanismo de deformación). Se ha propuesto una metodología de verificación alternativa al vuelco de vehículo completo que contempla el cálculo cuasi.estático con modelos simplificados barra.rótula plástica más el ensayo de una sección representativa con asientos y utillajes antropomórficos retenidos que permite validar el diseño de las uniones, determinar el porcentaje de energía que debe absorberse por deformación estructural (factor C) y verificar el propio asiento como sistema de retención. ABSTRACT This research analyzes the improvement of the structural strength of buses and coaches under rollover from two perspectives: regulatory requirements at European level and generation of tools that will help to the design and to the verification of requirements. European Regulations about rollover structural strength includes requirements for the superstructure of the vehicles but not about seats, anchorages and restraint systems. The influence of the retained passengers is higher than the one included currently in the Regulations (Reg. 66.01), being needed to consider a 91% of the passenger mass as rigidly joint to the vehicle (for 3 points’ belt, a 52% for 2 points’ belt) instead of the 50% included in the Regulation. Kinematic and dynamic of the normative rollover has been determined from testing of different sections, formulating the energies of the first phases (up to the first impact with the ground) and determining the last deformation phase through sequential analysis of movements and deformations. The efforts due to rollover over the seats have been established, being divided in two different temporal phases: a first one due to the structural deformation of the vehicle and a second one due to the effort of the restrained passenger being this second one in opposite sense (with a passenger deceleration around 3.3 g). From quasi.static testing, the behavior of the structural tubes under flexural loads, including the principal joints in the vehicle (floor, window and roof), the validity of the theoretical plastic behavior according Kecman.García theories have been verified up to 4 mm of thickness. Strength of the joints as well as the stiffness of the elastic zone has been determined in function of main parameters: type of reinforcement, materials and section of the tubes (more than 180 test specimens). It has been defined a quasi.static testing methodology to characterize the seats and restrain system behavior under rollover, testing 19 double seats and concluding that they are resistant (excepting clamping joints), that they can absorb more than a 17 of the absorbed energy, and that some of them need optimization to contribute in the structural deformation mechanism. It has been generated simplified MEF models, to analyze in a beam.plastic hinge model: a combined model joint+plastic hinge (including the stiffness depending on the type of joint) for the superstructure and a simplified model with non.lineal springs to represent the seats. It has been detailed methodologies for detailed design of joints and seats from virtual testing (MEF models). A design methodology based in the “optimized structural deformation mechanism” (increasing the height of deformation of the lateral up to window level) is proposed. Two possibilities are analyzed: design of the superstructure based on the selection of profiles and design of strength joints (were seats only resist the efforts and contribute in the energy absorption) or combination structure.seats, were seats contributes in the deformation mechanism. An alternative methodology to the rollover of a vehicle that includes the quasi.static calculation with simplified models “beam.joint+plastic hinge” plus the testing of a representative section of the vehicle including seats and anthropomorphic ballast restrained by the safety belts is presented. The test of the section allows validate the design of the joints, determine the percentage of energy to be absorbed by structural deformation (factor C) and verify the seat as a retention system.

The Influence of Geological Process on Interpreting Ediacaran Fossils in the Catalina Formation, Bonavista Peninsula, Newfoundland

Understanding the nature of the earliest complex fossils has presented many challenges over the past century since Billings first described Ediacaran fossils from Newfoundland in 1872. Previous studies have documented abundant Ediacaran fossils in the Bonavista Peninsula of Newfoundland. This thesis focuses on the H14 surface north of Catalina, which contains a nearly monospecific assemblage that includes hundreds of specimens of the rangeomorph, Fractofusus andersoni. Three factors need to be considered when trying to interpret these organisms. The first of these three factors is structural deformation. The area has undergone deformation during the formation of the Appalachian orogenic belt. This has distorted both fossil shape and orientation, requiring retrodeformation to restore the shapes and relationships of fossils to their original form. Two additional taphonomic factors influencing fossil visibility are: partly or completely ash covered fossils and the removal of fossil impressions from the bedding plane by modern weathering. These processes hinder acceptance of some previously published interpretations.

The Influence of Geological Process on Interpreting Ediacaran Fossils in the Catalina Formation, Bonavista Peninsula, Newfoundland

Understanding the nature of the earliest complex fossils has presented many challenges over the past century since Billings first described Ediacaran fossils from Newfoundland in 1872. Previous studies have documented abundant Ediacaran fossils in the Bonavista Peninsula of Newfoundland. This thesis focuses on the H14 surface north of Catalina, which contains a nearly monospecific assemblage that includes hundreds of specimens of the rangeomorph, Fractofusus andersoni. Three factors need to be considered when trying to interpret these organisms. The first of these three factors is structural deformation. The area has undergone deformation during the formation of the Appalachian orogenic belt. This has distorted both fossil shape and orientation, requiring retrodeformation to restore the shapes and relationships of fossils to their original form. Two additional taphonomic factors influencing fossil visibility are: partly or completely ash covered fossils and the removal of fossil impressions from the bedding plane by modern weathering. These processes hinder acceptance of some previously published interpretations.