Management and Control of Water Supply Systems

The fast increase in the energy’s price has brought a growing concern about the highly expensive task of transporting water. By creating an hydraulic model of the Water Supply System’s (WSS) network and predicting its behaviour, it is possible to take advantage of the energy’s tariffs, reducing the total cost on pumping activities. This thesis was developed, in association with a technology transfer project called the E-Pumping. It focuses on finding a flexible supervision and control strategy, adaptable to any existent Water Supply System (WSS), as well as forecasting the water demand on a time period chosen by the end user, so that the pumping actions could be planned to an optimum schedule, that minimizes the total operational cost. The OPC protocol, associated to a MySQL database were used to develop a flexible tool of supervision and control, due to their adaptability to function with equipments from various manufacturers, being another integrated modular part of the E-Pumping project. Furthermore, in this thesis, through the study and performance tests of several statistical models based on time series, specifically applied to this problem, a forecasting tool adaptable to any station, and whose model parameters are automatically refreshed at runtime, was developed and added to the project as another module. Both the aforementioned modules were later integrated with an Graphical User Interface (GUI) and installed in a pilot application at the ADDP’s network. The implementation of this software on WSSs across the country will reduce the water supply companies’ running costs, improving their market competition and, ultimately, lowering the water price to the end costumer.

Numerical tools for isogeometric analysis in the nonlinear regime

The present work deals with the development of robust numerical tools for Isogeometric Analysis suitable for problems of solid mechanics in the nonlinear regime. To that end, a new solid-shell element, based on the Assumed Natural Strain method, is proposed for the analysis of thin shell-like structures. The formulation is extensively validated using a set of well-known benchmark problems available in the literature, in both linear and nonlinear (geometric and material) regimes. It is also proposed an alternative formulation which is focused on the alleviation of the volumetric locking pathology in linear elastic problems. In addition, an introductory study in the field of contact mechanics, in the context of Isogeometric Analysis, is also presented, with special focus on the implementation of a the Point-to-Segment algorithm. All the methodologies presented in the current work were implemented in a in-house code, together with several pre- and post-processing tools. In addition, user subroutines for the commercial software Abaqus were also implemented.

Asymmetric rolling of 5182 aluminium alloy and interstitial free steel sheets

This Ph.D. research focuses on asymmetric rolling (ASR), as an alternative method for improving mechanical responses of aluminium-magnesium alloy and interstitial free (IF) steel regarding industrial requirements. Aluminium alloys are attractive materials in various industries due to their appropriate properties such as low density and corrosion resistance; however, their low formability has limited their applications. As formability of aluminium alloys can be improved through texture development, part of this dissertation is dedicated to producing the desired crystallographic texture with the ASR process. Two types of ASR (i.e. reverse and continuous asymmetric rolling) were investigated. The impact of shear deformation imposed by ASR processes on developing the desirable texture and consequently on mechanical behaviours was observed. The developed shear texture increased the normal and also planar anisotropy. Texture evolution during plastic deformation as well as induced mechanical behaviour were simulated using the “self-consistent” and Taylor models. Interstitial free (IF) steel was the second material selected in this dissertation. Since IF steel is one of the most often used materials in automotive industries it was chosen to investigate the effect of shear deformation through ASR on its properties. Two types of reverse and continuous asymmetric rolling were carried out to deform IF steel sheets. The results of optical microscopy and atomic force microscopy observations showed no significant difference between the grains’ morphology of asymmetric and conventionally rolled samples, whereas the obtained results of transmission electron microscopy indicated that fine and equiaxed dislocation cells were formed through the asymmetric rolling process. This structure is due to imposed shear deformation during the ASR process. Furthermore, the mechanical behaviour of deformed and annealed sheets was evaluated through uniaxial tensile tests. Results showed that at low thickness reductions (18%) the asymmetric rolled sample presented higher stress than that of the conventionally rolled sheet; while for higher thickness reductions (60%) the trend was reversed. The texture analyses indicated that intense rolling texture components which developed through 60% thickness reduction of conventional rolling cause a relatively higher stress; on the contrary the fine structure resulting from ASR appears to be the source of higher stress observed after pre-deformation of 18%.

Estudo da maquinabilidade das ligas Ti-6Al-4V e Co-28Cr-6Mo na fresagem de dispositivos biomédicos

Os estudos de maquinabilidade de biomateriais e outros materiais aplicados na área médica são extensos. Todavia, muitos destes estudos recorrem a modelos de geometria regular e operações elementares de maquinagem. Relativamente a estas, os estudos académicos atualmente disponíveis mostram que a tecnologia preferencial é o torneamento, opção que se fundamenta na simplicidade de análise (corte ortogonal). Saliente-se ainda que, neste contexto, a liga de titânio Ti-6Al-4V constitui o biomaterial mais utilizado. Numa perspetiva complementar, refira-se que as publicações científicas evidenciam que a informação disponível sobre a fresagem Ti-6Al-4V não é muito extensa e a do Co-28Cr-6Mo é quase inexistente. A presente dissertação enquadra-se neste domínio e representa mais uma contribuição para o estudo da maquinabilidade das ligas de Titânio e de crómio-cobalto. A aplicação de operações de maquinagem complexas, através do recurso a programas informáticos de fabrico assistido por computador (CAM), em geometrias complexas, como é o caso das próteses femorais anatómicas, e o estudo comparativo da maquinabilidade das ligas Co-28Cr-6Mo e Ti-6Al-4V, constituem os objetivos fundamentais deste trabalho de doutoramento. Neste trabalho aborda-se a problemática da maquinabilidade das ligas metálicas usadas nos implantes ortopédicos, nomeadamente as ligas de titânio, de crómiocobalto e os aços Inoxidáveis. Efetua-se ainda um estudo da maquinagem de uma prótese femoral com uma forma geométrica complexa, onde as operações de corte foram geradas recorrendo às tecnologias de fabrico assistido por computador (CAD/CAM). Posteriormente, procedeu-se ao estudo da maquinabilidade das duas ligas usadas neste trabalho, dando uma atenção particular à determinação das forças de corte para diferentes velocidades de corte. Para além da monitorização da evolução da força de corte, o desgaste das ferramentas, a dureza e a rugosidade foram avaliadas, em função da velocidade de corte imposta. Por fim, com base nas estratégias de maquinagem adotadas, analisa-se a maquinabilidade e selecionam-se os parâmetros de corte mais favoráveis para as ligas de Titânio e Crómio-cobalto. Os resultados obtidos mostram que a liga de crómio-cobalto induz maior valor de força de corte do que a liga de titânio. Observa-se um aumento progressivo das forças de corte quando a velocidade de corte aumenta, até atingir o valor máximo para a velocidade de corte de 80m/min, após a qual, a força de corte tende a diminuir. Apesar do fabricante das ferramentas recomendar a velocidade de corte de 50 m/min para ambos os materiais, conclui-se que a velocidade de corte de 65 m/min induz o mesmo desgaste na ferramenta de corte no caso da liga de titânio, e menor desgaste no caso da liga de crómio-cobalto.

Surface reactivity enhancement of silica-based glass-ceramic scaffolds

A paradigm shift is taking place from using transplanting tissue and synthetic implants to a tissue engineering approach that aims to regenerate damaged tissues by combining cells from the body with highly porous scaffold biomaterials, which act as templates, guiding the growth of new tissue. The central focus of this thesis was to produce porous glass and glass-ceramic scaffolds that exhibits a bioactive and biocompatible behaviour with specific surface reactivity in synthetic physiological fluids and cell-scaffold interactions, enhanced by composition and thermal treatments applied. Understanding the sintering behaviour and the interaction between the densification and crystallization processes of glass powders was essential for assessing the ideal sintering conditions for obtaining a glass scaffolds for tissue engineering applications. Our main goal was to carry out a comprehensive study of the bioactive glass sintering, identifying the powder size and sintering variables effect, for future design of sintered glass scaffolds with competent microstructures. The developed scaffolds prepared by the salt sintering method using a 3CaO.P2O5 - SiO2 - MgO glass system, with additions of Na2O with a salt, NaCl, exhibit high porosity, interconnectivity, pore size distribution and mechanical strength suitable for bone repair applications. The replacement of 6 % MgO by Na2O in the glass network allowed to tailor the dissolution rate and bioactivity of the glass scaffolds. Regarding the biological assessment, the incorporation of sodium to the composition resulted in an inibition cell response for small periods. Nevertheless it was demonstrated that for 21 days the cells response recovered and are similar for both glass compositions. The in vitro behaviour of the glass scaffolds was tested by introducing scaffolds to simulated body fluid for 21 days. Energy-dispersive Xray spectroscopy and SEM analyses proved the existence of CaP crystals for both compositions. Crystallization forming whitlockite was observed to affect the dissolution behaviour in simulated body fluid. By performing different heat treatments, it was possible to control the bioactivity and biocompatability of the glass scaffolds by means of a controlled crystallization. To recover and tune the bioactivity of the glass-ceramic with 82 % crystalline phase, different methods have been applied including functionalization using 3- aminopropyl-triethoxysilane (APTES). The glass ceramic modified surface exhibited an accelerated crystalline hydroxyapatite layer formation upon immersion in SBF after 21 days while the as prepared glass-ceramic had no detected formation of calcium phosphate up to 5 months. A sufficient mechanical support for bone tissue regeneration that biodegrade later at a tailorable rate was achievable with the glass–ceramic scaffold. Considering the biological assessment, scaffolds demonstrated an inductive effect on the proliferation of cells. The cells showed a normal morphology and high growth rate when compared to standard culture plates. This study opens up new possibilities for using 3CaO.P2O5–SiO2–MgO glass to manufacture various structures, while tailoring their bioactivity by controlling the content of the crystalline phase. Additionally, the in vitro behaviour of these structures suggests the high potential of these materials to be used in the field of tissue regeneration.

Diopside-fluorapatite-wollastonite based bioactive glasses and glass-ceramics

Bioactive glasses and glass–ceramics are a class of biomaterials which elicit special response on their surface when in contact with biological fluids, leading to strong bonding to living tissue. This particular trait along with good sintering ability and high mechanical strength make them ideal materials for scaffold fabrication. The work presented in this thesis is directed towards understanding the composition-structure-property relationships in potentially bioactive glasses designed in CaOMgOP2O5SiO2F system, in some cases with added Na2O. The main emphasis has been on unearthing the influence of glass composition on molecular structure, sintering ability and bioactivity of phosphosilicate glasses. The parent glass compositions have been designed in the primary crystallization field of the pseudo-ternary system of diopside (CaO•MgO•2SiO2) – fluorapatite (9CaO•3P2O5•CaF2) – wollastonite (CaO•SiO2), followed by studying the impact of compositional variations on the structure-property relationships and sintering ability of these glasses. All the glasses investigated in this work have been synthesized via melt-quenching route and have been characterized for their molecular structure, sintering ability, chemical degradation and bioactivity using wide array of experimental tools and techniques. It has been shown that in all investigated glass compositions the silicate network was mainly dominated by Q2 units while phosphate in all the glasses was found to be coordinated in orthophosphate environment. The glass compositions designed in alkali-free region of diopside – fluorapatite system demonstrated excellent sintering ability and good bioactivity in order to qualify them as potential materials for scaffold fabrication while alkali-rich bioactive glasses not only hinder the densification during sintering but also induce cytotoxicity in vitro, thus, are not ideal candidates for in vitro tissue engineering. One of our bioglass compositions with low sodium content has been tested successfully both in vivo and in preliminary clinical trials. But this work needs to be continued and deepened. The dispersing of fine glass particles in aqueous media or in other suitable solvents, and the study of the most important factors that affect the rheology of the suspensions are essential steps to enable the manufacture of porous structures with tailor-made hierarchical pores by advanced processing techniques such as Robocasting.

A computational study of ionic liquids used in the production of fuels and biofuels

For the past decades it has been a worldwide concern to reduce the emission of harmful gases released during the combustion of fossil fuels. This goal has been addressed through the reduction of sulfur-containing compounds, and the replacement of fossil fuels by biofuels, such as bioethanol, produced in large scale from biomass. For this purpose, a new class of solvents, the Ionic Liquids (ILs), has been applied, aiming at developing new processes and replacing common organic solvents in the current processes. ILs can be composed by a large number of different combinations of cations and anions, which confer unique but desired properties to ILs. The ability of fine-tuning the properties of ILs to meet the requirements of a specific application range by mixing different cations and anions arises as the most relevant aspect for rendering ILs so attractive to researchers. Nonetheless, due to the huge number of possible combinations between the ions it is required the use of cheap predictive approaches for anticipating how they will act in a given situation. Molecular dynamics (MD) simulation is a statistical mechanics computational approach, based on Newton’s equations of motion, which can be used to study macroscopic systems at the atomic level, through the prediction of their properties, and other structural information. In the case of ILs, MD simulations have been extensively applied. The slow dynamics associated to ILs constitutes a challenge for their correct description that requires improvements and developments of existent force fields, as well as larger computational efforts (longer times of simulation). The present document reports studies based on MD simulations devoted to disclose the mechanisms of interaction established by ILs in systems representative of fuel and biofuels streams, and at biomass pre-treatment process. Hence, MD simulations were used to evaluate different systems composed of ILs and thiophene, benzene, water, ethanol and also glucose molecules. For the latter molecules, it was carried out a study aiming to ascertain the performance of a recently proposed force field (GROMOS 56ACARBO) to reproduce the dynamic behavior of such molecules in aqueous solution. The results here reported reveal that the interactions established by ILs are dependent on the individual characteristics of each IL. Generally, the polar character of ILs is deterministic in their propensity to interact with the other molecules. Although it is unquestionable the advantage of using MD simulations, it is necessary to recognize the need for improvements and developments of force fields, not only for a successful description of ILs, but also for other relevant compounds such as the carbohydrates.

Propriedades intrínsecas e de processamento de termoplásticos elastoméricos incorporando borracha de pneu reciclada

O trabalho apresentado tem por objetivo contribuir para a valorização da borracha proveniente de pneus em fim de vida, assente em princípios de sustentabilidade ambiental. A abordagem adotada para a concretização deste objetivo consiste na incorporação de borracha de pneus em formulações de base termoplástica e elastomérica (TPE), adequadas ao processo de moldação por injeção. São desenvolvidos estudos sobre a morfologia, propriedades mecânicas, térmicas e reológicas das ligas poliméricas à base de granulado de borracha de pneu (GTR). A falta de adesão entre o GTR e a matriz polimérica leva à degradação das propriedades mecânicas dos materiais obtidos. A estratégia explorada passa pela utilização de um elastómero para promover o encapsulamento do GTR e, desta forma, procurar obter ligas com propriedades mecânicas características de um TPE. São analisadas ligas ternárias (TPEGTR) compostas por polipropileno (PP) de elevada fluidez, GTR e elastómero virgem. O efeito da presença de diferentes elastómeros nas ligas é analisado neste trabalho: um elastómero de etilenopropileno- dieno (EPDM), e um novo elastómero de etileno-propileno (EPR) obtido por catálise metalocénica. O estudo da morfologia das ligas obtidas mostra haver interação entre os materiais, sendo possível inferir a viabilidade da estratégia adotada para promover a adesão do GTR. A incorporação de elastómero promove o aumento da resistência ao impacto e da extensão na rotura nas ligas, o que é atribuído, fundamentalmente, ao encapsulamento do GTR e ao aumento da tenacidade da matriz termoplástica. Com o objetivo de avaliar a influência da estrutura cristalina das ligas TPEGTR no seu comportamento mecânico, procede-se à análise do processo de cristalização sob condições isotérmicas e não isotérmicas. Neste estudo, é avaliado o efeito da presença dos materiais que constituem a fase elastomérica na cinética de cristalização. Para cada uma das ligas desenvolvidas, recorre-se ao modelo de Avrami para avaliar o efeito da temperatura no mecanismo de nucleação, na morfologia das estruturas cristalinas e na taxa de cristalização. Recorre-se à reometria capilar para estudar, sob condições estacionárias, o comportamento reológico das ligas TPEGTR. O modelo de Cross-WLF é utilizado para avaliar o comportamento reológico de todos os materiais, obtendo-se resultados similares àqueles obtidos experimentalmente. O comportamento reológico dos polímeros PP, EPR e EPDM é do tipo reofluidificante, tendo o EPR um comportamento reológico similar ao do PP e o EPDM um comportamento reo-fluidificante mais pronunciado. Em todas as ligas analisadas o comportamento reológico revela-se do tipo reo-fluidificante, sendo que a presença de GTR promove o aumento da viscosidade. Os parâmetros obtidos do modelo de Cross-WLF são utilizados para realizar a simulação da etapa de injeção recorrendo a um software comercial. Os resultados obtidos são validados experimentalmente pelo processo de moldação por injeção, evidenciando uma boa adequabilidade da aplicação deste modelo a estas ligas. O trabalho desenvolvido sobre ligas TPEGTR, constitui um contributo para a valorização da borracha proveniente de pneus em fim de vida, assente em princípios de sustentabilidade ambiental.

Alkaline-earth aluminosilicate-based glass and glass-ceramic sealants for functional applications

The planar design of solid oxide fuel cell (SOFC) is the most promising one due to its easier fabrication, improved performance and relatively high power density. In planar SOFCs and other solid-electrolyte devices, gas-tight seals must be formed along the edges of each cell and between the stack and gas manifolds. Glass and glass-ceramic (GC), in particular alkaline-earth alumino silicate based glasses and GCs, are becoming the most promising materials for gas-tight sealing applications in SOFCs. Besides the development of new glass-based materials, new additional concepts are required to overcome the challenges being faced by the currently existing sealant technology. The present work deals with the development of glasses- and GCs-based materials to be used as a sealants for SOFCs and other electrochemical functional applications. In this pursuit, various glasses and GCs in the field of diopside crystalline materials have been synthesized and characterized by a wide array of techniques. All the glasses were prepared by melt-quenching technique while GCs were produced by sintering of glass powder compacts at the temperature ranges from 800−900 ºC for 1−1000 h. Furthermore, the influence of various ionic substitutions, especially SrO for CaO, and Ln2O3 (Ln=La, Nd, Gd, and Yb), for MgO + SiO2 in Al-containing diopside on the structure, sintering and crystallization behaviour of glasses and properties of resultant GCs has been investigated, in relevance with final application as sealants in SOFC. From the results obtained in the study of diopside-based glasses, a bilayered concept of GC sealant is proposed to overcome the challenges being faced by (SOFCs). The systems designated as Gd−0.3 (in mol%: 20.62MgO−18.05CaO−7.74SrO−46.40SiO2−1.29Al2O3 − 2.04 B2O3−3.87Gd2O3) and Sr−0.3 (in mol%: 24.54 MgO−14.73 CaO−7.36 SrO−0.55 BaO−47.73 SiO2−1.23 Al2O3−1.23 La2O3−1.79 B2O3−0.84 NiO) have been utilized to realize the bi-layer concept. Both GCs exhibit similar thermal properties, while differing in their amorphous fractions, revealed excellent thermal stability along a period of 1,000 h. They also bonded well to the metallic interconnect (Crofer22APU) and 8 mol% yttrium stabilized zirconium (8YSZ) ceramic electrolyte without forming undesirable interfacial layers at the joints of SOFC components and GC. Two separated layers composed of glasses (Gd−0.3 and Sr−0.3) were prepared and deposited onto interconnect materials using a tape casting approach. The bi-layered GC showed good wetting and bonding ability to Crofer22APU plate, suitable thermal expansion coefficient (9.7–11.1 × 10–6 K−1), mechanical reliability, high electrical resistivity, and strong adhesion to the SOFC componets. All these features confirm the good suitability of the investigated bi-layered sealant system for SOFC applications.

Severe plastic deformation of Al–Zn alloys

In this work, the R&D work mainly focused on the mechanical and microstructural analysis of severe plastic deformation (SPD) of Al–Zn alloys and the development of microstructure–based models to explain the observed behaviors is presented. Evolution of the microstructure and mechanical properties of Al–30wt% Zn alloy after the SPD by the high–pressure torsion (HPT) has been investigated in detail regarding the increasing amount of deformation. SPD leads to the gradual grain refinement and decomposition of the Al–based supersaturated solid solution. The initial microstructure of the Al–30wt% Zn alloy contains Al and Zn phases with grains sizes respectively of 15 and 1 micron. The SPD in compression leads to a gradual decrease of the Al and Zn phase grain sizes down to 4 microns and 252 nm, respectively, until a plastic strain of 0.25 is reached. At the same time, the average size of the Zn particles in the bulk of the Al grains increases from 20 to 60 nm and that of the Zn precipitates near or at the grain boundaries increases as well. This microstructure transformation is accompanied at the macroscopic scale by a marked softening of the alloy. The SPD produced by HPT is conducted up to a shear strain of 314. The final Al and Zn grains refine down to the nanoscale with sizes of 370 nm and 170 nm, respectively. As a result of HPT, the Zn–rich (Al) supersaturated solid solution decomposes completely and reaches the equilibrium state corresponding to room temperature and its leads to the material softening. A new microstructure–based model is proposed to describe the softening process occurring during the compression of the supersaturated Al–30wt% Zn alloy. The model successfully describes the above–mentioned phenomena based on a new evolution law expressing the dislocation mean free path as a function of the plastic strain. The softening of the material behavior during HPT process is captured very well by the proposed model that takes into consideration the effects of solid solution hardening and its decomposition, Orowan looping and dislocation density evolution. In particular, it is demonstrated that the softening process that occurs during HPT can be attributed mainly to the decomposition of the supersaturated solid solution and, in a lesser extent, to the evolution of the dislocation mean free path with plastic strain.

Controle activo de estruturas adaptativas com sensores e actuadores piezoeléctricos

Nos últimos anos o estudo de estruturas inteligentes tem atraído vários investigadores devido às suas potenciais vantagens numa larga gama de aplicações, tais como controle de forma, supressão de vibrações, atenuação de ruído e detecção de dano. O uso de materiais “inteligentes” tal como os materiais piezoeléctricos na forma de lâminas ou “patches”, embebidas ou coladas na superfície de estruturas construídas de materiais compósitos, permite assim obter estruturas que por um lado são adaptativas e por outro revelam excelentes propriedades mecânicas, aumentando assim bastante o desempenho e a fiabilidade de sistemas estruturais. Os materiais piezoeléctricos têm a propriedade de gerar uma carga eléctrica sob a acção duma carga mecânica e o reverso, isto é, aplicando um campo eléctrico nos elementos piezoeléctricos da estrutura, esta deforma-se. Neste trabalho, é apresentado um modelo de elementos finitos, baseado na teoria clássica de placas, desenvolvido para a análise do controle activo em estática e dinâmica lineares de estruturas integrando sensores e actuadores piezoeléctrico na forma de lâminas, os quais introduzem um grau de liberdade referente ao potencial eléctrico, por cada camada piezoeléctrica do elemento finito. É utilizado método de Newmark para a solução iterativa das equações de equilíbrio. Apresentam-se os resultados obtidos em três exemplos ilustrativos.

Optimização de painéis laminados com furos

Neste trabalho é feita a optimização de estruturas laminadas do tipo placa-casca, construídas por materiais compósitos, fazendo-se uso de um modelo discreto baseado na Teoria de Kirchhoff em conjugação com a Teoria da Camada Única Equivalente.As análises estrutural e de sensibilidades de estruturas em regime estático com comportamento geometricamente não linear, em vibrações livres, e em estabilidade linear, são desenvolvidas para um elemento finito triangular plano de 3 nós, com 18 graus de liberdade. A optimização é feita considerando diferentes funções objectivo, tais como a maximização da energia elástica de deformação, a maximização da frequência fundamental e a maximização da carga crítica, e é baseada no método das sensibilidades. As sensibilidades destas funções objectivo em ordem ás variáveis de projeto são calculadas analíticamente, sendo a orientação das fibras as variáveis de projecto consideradas.

Characterisation of physiological conditions and evaluation of well-being in two species of bivalve molluscs (Ruditapes philippinarum and Chamelea gallina) intensively exploited in coastal and lagoon areas of the Northern Adriatic Sea (Italy)

Tese de Doutoramento, Ecologia, Especialidade de Ecofisiologia, Faculdade de Ciências do Mar e do Ambiente, Universidade do Algarve, 2007

Mechanical cell lysis technique for plasmid recovery

Dissertação de Mestrado, Engenharia Biológica, Faculdade de Engenharia de Recursos Naturais, Universidade do Algarve, 2008

Processamento de emoções realizado por sujeitos com traumatismo crânio-encefálico

Tese de dout., Psicologia, Faculdade de Ciências Humanas e Sociais, Univ. do Algarve, 2010