CoordenaÃÃo de AperfeiÃoamento de Pessoal de NÃvel Superior / Nesse trabalho apresentamos as soluÃÃes clÃssicas e quÃnticas de duas classes de osciladores harmÃnicos dependentes de tempo, a saber: (a) o oscilador log-periÃdico e (b) o oscilador tipo Caldirola-Kanai. Para a classe (a) estudamos os seguintes osciladores: (I) $m(t)=m_0frac{t}{t_0}$, (II) $m(t)=m_0$ e (III) $m(t)=m_0ajust{frac{t}{t_0}}^2$. Nesses trÃs casos $omega(t)=omega_0frac{t_0}{t}$. Para a classe (b) estudamos o oscilador (IV) de Caldirola-Kanai onde $omega(t)=omega_0$ e $m(t)=m_0 ext{Exp}ajust{gamma t}$ e osciladores com $omega(t)=omega_0$ e $m(t)=m_0ajust{1+frac{t}{t_0}}^alpha$, para (V) $alpha=2$ e (VI) $alpha=4$. Para obter as soluÃÃes clÃssicas de cada oscilador resolvemos suas respectivas equaÃÃes de movimento e analisamos o comportamento de $q(t)$, $p(t)$ assim como do diagrama de fase $q(t)$ vs $p(t)$. Para obter as soluÃÃes quÃnticas usamos uma transformaÃÃo unitÃria e o mÃtodo dos invariantes quÃnticos de Lewis e Riesenfeld. A funÃÃo de onda obtida à escrita em termos de uma funÃÃo $ ho$, que à soluÃÃo da equaÃÃo de Milne-Pinney. Ainda, para cada sistema resolvemos a respectiva equaÃÃo de Milne-Pinney e discutimos como o produto da incerteza evolui no tempo. / In this work we present the classical and quantum solutions of two classes of time-dependent harmonic oscillators, namely: (a) the log-periodic and (b) the Caldirola-Kanai-type oscillators. For class (a) we study the following oscillators: (I) $m(t)=m_0frac{t}{t_0}$, (II) $m(t)=m_0$ and (III) $m(t)=m_0ajust{frac{t}{t_0}}^2$. In all three cases $omega(t)=omega_0frac{t_0}{t}$. For class (b) we study the Caldirola-Kanai oscillator (IV)where $omega(t)=omega_0$ and $m(t)=m_0 ext{exp}ajust{gamma t}$ and the oscillator with $omega(t)=omega_0$ and $m(t)=m_0ajust{1+frac{t}{t_0}}^alpha$, for $alpha=2$ (V) and $alpha=4$ (VI). To obtain the classical solution for each oscillator we solve the respective equation of motion and analyze the behavior of $q(t)$, $p(t)$ as well as the phase diagram $q(t)$ vs $p(t)$. To obtain the quantum solutions we use a unitary transformation and the Lewis and Riesenfeld quantum invariant method. The wave functions obtained are written in terms of a function ($ ho$) which is solution of the Milne-Pinney equation. Futhermore, for each system we solve the respective Milne-Pinney equation and discuss how the uncertainty product evolves with time.

O câncer de pele se apresenta como um sério problema de saúde pública mundial, sendo incidente nos cinco continentes. As ações relacionadas à prevenção dessa doença envolvem, entre outras coisas, a utilização de protetores solares e a educação em saúde. Em virtude do aumento do número de indivíduos com câncer de pele a cada ano, é de grande valor estudos de entendimento e desenvolvimento de filtros solares melhores e mais seguros. Os produtos utilizados com a finalidade de proteger a pele dos raios solares ultravioletas (UV) possuem em sua composição filtros solares, que podem ter ação física, refletindo e dissipando a radiação UV; ou ação química, absorvendo a radiação UV. Os filtros químicos podem apresentar absorção em UVB (290-320 nm), UVA (320-400 nm) ou em ambas as faixas, sendo considerados de amplo espectro. . Dentre as várias classes de compostos com perfil de filtro solar UVB, os cinamatos destacam-se por apresentarem boa eficácia e excelente custo-benefício. A aplicação de cálculos teóricos tornou-se indispensável no planejamento de fármacos e nos estudos de mecanismo de ação de moléculas bioativas, visto a diminuição de tempo e custos em pesquisa e desenvolvimento. O desenvolvimento de métodos quânticos robustos, como o TD-DFT, permitiu a simulação de propriedades experimentais in silico, tais como espectros de RMN e UV. Diante deste panorama, aplicamos tal método na simulação de espectros UV para os cinamatos com perfil de filtros solares. Realizou-se uma busca do melhor funcional para simulação dos espectros, na qual se determinou que os funcionais B3LYP e B3P86 apresentaram melhores resultados quando comparados ao espectro experimental do composto p-metoxicinamato de etilexila determinado em metanol. Foram simulados os espectros de UV para sete compostos derivados do ácido cinâmico, os quais apresentaram λ máximo próximo a 310 nm, como descrito na literatura. Observou-se que a energia média para que ocorra a principal transição eletrônica, de HOMO para LUMO, é de 3,95 eV. O método mostrou-se adequado para a determinação de espectros UV para a classe dos cinamatos e pode ser utilizado na busca de novos compostos dessa classe a serem empregados como filtros solares. / Skin cancer presents itself as a very serious world public health problem, being incident all over the five continents. Using sunscreen and receiving health education, among other factors, are related to prevent the disease. The number of people with skin cancer increases every year, therefore, studies for better knowledge and development for better and safer sunscreens are crucial. Products used with the intention to protect the skin from ultraviolet sunrays (UV) are partially composed by sunscreen, which may lead to two different reactions, a physical reaction, that reflects and ceases the UV radiation; or a chemical reaction, that absorbs the UV radiation. Chemical filters may present absorption in UVB (290-320 nm), UVA (320 400 nm) or in both, which is considered as broad spectrum. Among the various types of compound forms with sunscreen UVB profile, cinnamates stand out for presenting good efficiency and excellent cost-benefit. The application of theoretical calculations became essential for drug design and bioactive molecules action mechanism studies, considering time saving and costs in research and development. The development of robust quantum method, such as TD-DFT allowed the simulation of experimental properties in silico, like RMN and UV spectra. Given this overview, this method was applied to simulate UV spectra of cinnamates with sunscreen profile. A search was done to define the best functional to simulate all spectrum, where the functionals B3LYP and B3P86 showed the best results when compared to experimental spectra of the compound ethylhexyl methoxycinnamate determined in methanol. An UV spectrum simulation for seven compounds derived from cinnamic acid showed maximum wavelength around to 310 nm, as described in the literature. It was observed that the average energy for the main electronic transition, HOMO to LUMO, is 3,95 eV. The method proved to be adequate for the determination of UV spectra for cinnamate class and it can be used as a tool on the search for new compounds from this class to be used as sunscreen.

CoordenaÃÃo de AperfeiÃoamento de Pessoal de NÃvel Superior / Nesta dissertaÃÃo nÃs estudamos os problemas de processar uma variaÃÃo de consulta de vizinhos mais prÃximos e de planejamento de rotas em redes viÃrias dependentes do tempo. Diferentemente de redes convencionais, onde o custo de deslocamento de um ponto a outro à geralmente dado pela distÃncia fÃsica entre esses dois pontos, uma rede dependente do tempo representa de forma mais realista o custo de realizar esse deslocamento, considerando o histÃrico das condiÃÃes de trÃfego. Mais especificamente, o tempo que um objeto mÃvel leva para percorrer uma via em tal rede depende do tempo de partida. Por exemplo, o tempo para se deslocar de um ponto a outro em grandes centros durante os horÃrios de pico, quando o trÃfego à intenso e as ruas estÃo congestionadas, à muito maior do que em horÃrios normais. Dentro do contexto apresentado, primeiramente nÃs estudamos o problema de encontrar k pontos de interesse, como por exemplo, museus ou restaurantes, nos quais um usuÃrio pode comeÃar a ser servido o mais rÃpido possÃvel. Em outras palavras, nÃs buscamos minimizar a soma do tempo de viagem atà um ponto de interesse mais o tempo de espera atà que ele abra, caso esteja fechado. Trabalhos anteriores tratam do problema de encontrar os k vizinhos mais prÃximos em redes dependentes do tempo, porÃm, eles nÃo levam em consideraÃÃo o horÃrio de funcionamento dos pontos de interesse. Desta forma, a consulta abordada nesses trabalhos pode retornar pontos de interesse que estÃo mais prÃximos do usuÃrio, considerando um dado tempo de partida, mas que podem demorar para abrir, fazendo com que o usuÃrio espere por muito tempo. NÃs propomos e discutimos trÃs soluÃÃes para essa consulta que sÃo baseadas em um algoritmo de expansÃo incremental da rede previamente proposto na literatura e usam o algoritmo de busca A* equipado com funÃÃes heurÃsticas adequadas para cada soluÃÃo. Com o uso do algoritmo A*, nÃs visamos reduzir o percentual da rede avaliado na busca, evitando expandir vÃrtices que oferecem uma baixa probabilidade de alcanÃar nosso objetivo. TambÃm apresentamos resultados experimentais que comparam o nÃmero de acessos ao disco exigido em cada soluÃÃo em relaÃÃo a alguns parÃmetros diferentes e que indicam em que casos deve-se optar por cada soluÃÃo. Na segunda consulta, nÃs visamos encontrar a rota Ãtima que conecta uma dada origem a um dado destino e que passa por uma sÃrie de pontos de interesse pertencentes a categorias determinadas pelo usuÃrio em uma certa ordem tambÃm especificada pelo usuÃrio. Esse tipo de consulta à conhecida como OSR, do inglÃs, Optimal Sequenced Route, na literatura. Como exemplo, considere que alguÃm està indo do trabalho para casa e no seu caminho deseja passar em um banco para sacar dinheiro e depois ir a um restaurante para jantar. Embora existam vÃrios bancos e restaurantes em uma cidade, uma consulta OSR deve procurar pelo banco e pelo restaurante que minimizam o custo da viagem do trabalho para casa. Trabalhos anteriores propuseram soluÃÃes para consultas OSR em redes com arestas de custo fixo, mas nenhum deles considerou que esse custo pode variar de acordo com o tempo de partida. NÃs propomos uma soluÃÃo Ãtima para esse problema que, assim como as abordagens propostas para o problema anterior, expande a rede incrementalmente e usa o algoritmo A* para guiar essa expansÃo. AlÃm disso, como uma consulta OSR em redes viÃrias tende a re-expandir um nÃmero muito grande de vÃrtices, nÃs incorporamos à essa soluÃÃo um esquema para reduzir o nÃmero de re-expansÃes. NÃs tambÃm apresentamos resultados experimentais que mostram a eficiÃncia dessa soluÃÃo em comparaÃÃo com uma soluÃÃo de base que foi obtida a partir da estensÃo de um algoritmo anteriormente proposto na literatura. Todos os experimentos foram realizados em redes sintÃticas. / In this thesis we study the problems of processing a variation of nearest neighbors and of routing planning queries in time-dependent road networks, i.e., one where travel time along each edge is a function of the departure time. We first study the problem of finding the k points of interest (POIs), for example, museums or restaurants, in which a user can start to be served in the minimum amount of time, accounting for both the travel time to the POI and the waiting time there, if it is closed. Previous works have proposed solutions to answer k-nearest neighbor queries considering the time dependency of the network but not the operating times of the points of interest. We propose and discuss three solutions to this type of query which are based on the previously proposed incremental network expansion and use the A* search algorithm equipped with suitable heuristic functions. We also present experimental results comparing the number of disk access required in each solution with respect to a few different parameters. In the second query, we aim at finding the optimal route that connects a origin to a destination and passes through a number of POIs in a specific sequence imposed on the categories of the POIs. Previous works have addressed this problem, but they do not consider the time dependency of the network. We propose an optimal sequenced route query algorithm which performs an incremental network expansion adopting an A* search. Furthermore, as an OSR query on road network tends to re-expand an extremely large number of nodes, we propose a scheme to reduce the re-expansions. For comparison purposes, we also present a baseline solution which was obtained by extending the previously proposed progressive neighbor exploration algorithm to cope with the time-dependent problem. We performed experiments in synthetic networks comparing the proposed solutions according to the number of expanded vertices in the search and the processing time of the queries.

Neste trabalho estudam-se os efeitos dependentes do tempo em vigas de concreto pré-moldado, protendidas ou não, com concretagem posterior formando um conjunto de seção composta com lajes alveolares, usual em pavimentos de edifícios, e ocasionando um estabelecimento da continuidade com ligação semi-rígida. Os esforços de restrição causados pelos efeitos de retração e fluência dos diversos concretos envolvidos e possível relaxação das cordoalhas de protensão nos extremos dessas vigas acarretam uma redistribuição de esforços função do tempo, causando deslocamentos axiais e rotações no elemento. Esta análise é feita utilizando a programação em elementos finitos CONS, própria para análise não-linear de estruturas em concreto construídas evolutivamente, aplicada a modelos representativos. O programa CONS apresentou bastante precisão na avaliação dos efeitos do tempo respaldado por estudos experimentais. Com base no estudo de dois modelos representativos de concreto pré-moldado foi observado que: a) os momentos de restrição acarretaram modificações sensíveis na região da ligação influenciando na fissuração da peça e no valor final de momento fletor, com alterações de até 80% para a viga de concreto armado, e inversão do sinal para a viga de concreto protendido; b) em comparação com as demais, as deformações axiais tiveram uma maior influência dos efeitos do tempo chegando a acréscimos posteriores à imposição do último carregamento de até 90% para a viga de concreto protendido; c) a retração diferencial entre concretos de idades distintas originou tensões de tração consideráveis em especial na região da interface. / In this research, time-dependent effects in precast concrete beams, prestressed or not, with posterior concreting resulting in a structure of a composite cross section with hollow core slabs, usual in buildings floors, and made continuous with semi-rigid connection are studied. The restraint stresses caused by the effects of the shrinkage and creep of the various concretes involved and possible relaxation of the prestressed tendons in the extremities of these beams imply in a rearrangement of time-dependent stresses, leading to axial deflection and rotations in the element. This analysis is made using the finite element based program CONS for non-linear analysis of progressively assembled concrete structures, applied in representative samples. CONS presented great accuracy in the evaluation of time effects supported by experimental studies. Based on a study of two precast concrete structures examples, it was observed that: a) the restraint stresses lead to sensible modifications in the connection, influencing on the cracking of the piece and in the final bending moment with changes of 80% for the reinforced concrete sample, and sign inversion for the prestressed one; b) In comparison among the others, the axial deformation had a greater influence in time effects in the samples analyzed, with increases after the last load of 90% in the prestressed example; c) the differential shrinkage between concretes of different ages has generated great tensile stresses, specially on the interface.

Estimating the delayed strains in concrete, namely creep and shrinkage is very important to asses the condition of the structure. Time dependent deformations in concrete, both creep and shrinkage, play a critical role in prestressed concrete structures, such as bridge girders, nuclear containment vessels, etc. These strains result in lossess, through release of prestress, and thereby influence the safety of these structures. Recognizing the role of free and bound moisture movement is the primary ingredient responsible for the development of both creep and shrinkage stains as well as the degradation of concrete under high temperature, the present study has also examined the effects of high temperature on concrete degradation, experimentally and also analytically in the same modelling framework. Fire in concretes deteriorates mechanical properties of the material and lead to col-lapse under loads. Two types of spalling occur in concrete when exposed to high temperature, namely explosive and thermal spalling. Explosive spalling occurs once the hydrostatic stress (developed due to pore pressure) exceeds the tensile strength of the concrete. Where as thermal spalling of concrete happens due to degradation of material properties (elastic modulus, compressive and tensile strength) when exposed to high temperature due to decomposition of chemical bonds that release the bound water. The present study comprises of an experimental and analytical program to assess the levels of creep and shrinkage in different concrete under various loads and environmental conditions. Deformations due to high temperature in di erent concretes forms another component of the present study. Total six concrete mixes has been studied to investigate and asses the extent of creep and shrinkage taking place in the concretes under different environmental conditions, load level and age at loading. In total six mixes, three that are self compacted concrete mixes (35MPa, 55MPa and SCC70MPa), a high volume y ash concrete mix ( 45 MPa) and two normal concrete mixes (35 MPa and 45 MPa) have been considered in this study. To study the high temperature effects, the same mixes considered in the creep and shrinkage study and in addition a heavy density concrete mix (25 MPa) is used. A normal concrete having a 28 day uniaxial compressive strength of 45 MPa after proper curing, referred to as M45 concrete, was one of the six mixes. Likewise a heavy density concrete designated as H25, corresponding to a 28 day uniaxial compressive strength of 25 MPa was another mix that was studied and was made using iron ore aggregate and iron ore sand. A concrete having high volume y ash replacing cement designated as F45 offered a 28 day strength of 45MPa. Three self-compacting concretes with uniaxial compressive strengths of 35, 55 and 70 MPa were designated as SCC35 SCC55 and SCC70, respectively is studied for creep, shrinkage and high temperature effects. F45 concrete shows lower creep strain when compared to normal M45 concrete, under similar casting, curing and testing condtions. This is due to increase in stiffness of y ash based concretes with time. Where as in shrinkage it is observed that a little higher strain takes place in F45 at initial ages than in M45 concrete mix for the same conditions. But in the later age, F45 concrete shows a decreasing rate of shrinkage strain. This is because, water to cement ratio of y ash concrete is higher than the M45 concrete. The SCC35 concrete shows higher creep and shrinkage than M35 concrete even though both the concretes have the same water cement ratio. This difference comes from the aggregate cement ratio (a/c). The lower the aggregate cement ratio, the higher the creep and shrinkage. M35 concrete has a higher aggregate cement ratio than the SCC35. Concretes exposed to higher temperature and lower humidity shows higher creep and shrinkage due to its higher rate of drying. An analytical model has been developed to simulate the drying phenomena in concrete based on poromechanics. The hydration effects of blended cements is considered while developing the model. This models prediction of degree of hydration, temperature and relative humidity is used to model creep and shrinkage in concrete. To model creep and shrinkage, micro prestress solidi cation theory is implemented and validated with the present experimental results. The model is able to predict the drying phenomena of concrete realistically. Further, a benchmark problem reported in the literature is solved through this model and validated through a comparison with the experimental results (beam detection due to creep and shrinkage). Under high temperature tests, H25 concrete shows better resistance for all the ranges of temperatures. This may be because of the hematite aggregate having a high melting point and strong interfacial transition zone (ITZ) properties between aggregate and cement mortar. The SCC70 shows poor performance against explosive spalling at both the ages (28 and 365 days) due to its lower permeability when exposed to high temperature. The intensity of explosive spalling is higher in SCC70 concrete tested at 28 days than at 365 days of age. This is because of variation in moisture content. SCC70 concrete failed due to explosive spalling at temperature of 398oC when tested at 28 days and failed at 575oC when tested at 365 days. This indicates the amount of moisture content in the concrete plays an important role while causing explosive spalling. F45 concrete shows a poor resistance against temperature beyond 500oC in its residual properties. SCC55 contains cement and y ash and shows higher residual properties when compared to normal vibrated M45 mix under similar high temperature conditions. Two geopolymers pastes prepared with y ash and metakaolin as a complete cement replacement were studied for passive re protection capability. The study shows MF70 mix (containing 70% y ash and 30% metakaolin) gives better resistance against heating than MF50 mix (50% each of metakaolin and y ash). Hence y ash geopolmer is a choice of material for passive re protection. An analytical model has been developed based on poromechanics to simulate high temperature e ects in concrete. Two type of spalling is considered while modelling the high temperature e ects of concrete, namely explosive and thermal spalling. Explosive spalling is estimated based on the hydro static stress (Biotech efficient times the pore pressure). If the hydrostatic stress increases beyond the tensile strength of concrete then explosive spalling occurs. Where as the thermal spalling is estimated based on the stresses developed due to applied mechanical and thermal loading. To validate this model, two benchmark problems from the literature have been solved and validated with the reported results. This model is able to predict pore pressure and temperatures gradients accurately, and this in turn helps to predict explosive and thermal spalling realistically in concrete under elevated temperature conditions.

Résumé / Abstract

Artificial infiltration has been increasing in popularity in Sweden as a way to combat over-abstraction of groundwater aquifers from growing municipalities. However, enteric virus contamination of drinking water sources is a concern as infiltrating surficial waters are easily contaminated from human activities. Therefore, it is imperative that effective drinking water treatment is maintained to prevent infection throughout the municipalities. Furthermore, a better quantification of environmental parameters affect-ing virus mobility could significantly improve infiltration schemes for virus removal purposes. In this study, the removal efficiency of MS2 bacteriophage was investigated in relation to dissolved organic matter and ionic strength on new and used sand from the Tunåsen infiltration basin in Uppsala, Sweden. Virus removal was measured by static batch equilibrium experiments and first order decay models were used as interpretative models. Soil associated organic matter displayed the greatest effect on virus removal between all parameters. The highest removal efficiency was seen in samples containing low soil associated organic matter. Similarly, an inverse relationship with dissolved organic matter and virus removal rate was determined. Samples without soil showed the opposite relationship between dis-solved organic matter and virus removal. A higher decrease in MS2 phage was observed with higher dissolved organic matter in soil-negative samples. The removal kinetics of MS2 with higher ionic strength had a closer correlation with the linear time-invariant removal model, whereas samples with low ionic strength had a closer relation with the nonlinear time-dependent removal model. However, ionic strength was shown to have very little effect on overall virus removal efficiency. Fastest and slowest viral removal rates were modeled in the HYDRUS 1D program to determine the amount of potential contamination of the water table beneath the Uppsala Esker. The degree of contamination at the bottom of the infiltration basins was also determined. The sample with the highest rate of virus removal displayed an 11.77% greater decrease in phage concentration at the water table than samples with the lowest rate of removal. However the approximation of maximum contamination was deemed unrealistic due to the assumption that the entire esker was made of sand. On the other hand, the sample with the highest rate of removal showed only a 0.60% greater decrease in phage concentration following the infiltration basin. This study therefore suggests that a more frequent replacement of quartz sand in infiltration basins has little value in overall drinking water quality. / I Sverige har så kallad konstgjord infiltrering, det vill säga perkolation av ytvatten ned i grundvattensystem, blivit ett allt vanligare tillvägagångssätt för att tillmötesgå den ökande efterfrågan av färskt dricksvatten bland Sveriges växande kommuner. Tyvärr är föroreningar av virus i dricksvatten ett vanligt bekymmer eftersom ytvatten enkelt förorenas genom mänskliga aktiviteter, vilket bland annat har observerats genom en ökning av diarréfall under vintermånaderna. Därför är det viktigt att en bra vattenbehandling upprätthålls för att förebygga fler insjuknanden hos befolkningen.Tidigare studier visar att ökning av organiskt material bidrar till förhöjd transport av virus i konstgjorda infiltreringsprojekt. Detta eftersom organiskt material binder till jordpartiklar och därför tar upp den plats som viruset annars skulle bundit till. Istället för att viruset binder till jorden och tas bort från vattnet, stannar det kvar och transporteras vidare i grundvattensystemet och kan då nå den vattentäkt där dricksvatten tas till samhället. Ökad förekomst av organiskt material skulle alltså kunna öka risken att kommunalt dricksvatten förorenas av virus.I denna studie användes prover tagna från det område i Uppsala där ytvatten infiltreras i marken för att genomgå naturlig rening. Proverna undersöktes för att se hur mycket virus som tas bort under den naturliga rengöringsprocessen. Borttagningen av virus mättes i en så kallad ”static batch equilibrium experiments”, vilket innebär att mängden virus i vattnet uppskattas utifrån tre olika parametrar, mätt över tid. De testade parametrarna är mängd organisk materia löst i vattnet, lösningens jonstyrka och mängd organisk materia bunden till jorden. För att jämföra de olika parametrarna och för att bestämma hur snabbt virus tas bort från vattnet, användes olika linjära modeller.Resultaten visade att organiskt material bundet till jord var den parameter som hade störst effekt på virusborttagning, där låg halt organiskt material är bunden till jord avlägsnades mest virus. Halten organisk materia löst i vatten har en liknande trend där en hög halt inte avlägsnar så mycket virus, medan en låg halt däremot avlägsnar mer virus. Proverna utan jord visade motsatt effekt mellan löst organisk materia och virusborttagning, det vill säga mer virus avlägsnades ju mer organisk materia som var löst i vattnet. Jonstyrkan hade ingen signifikant effekt på virusborttagningen.Två olika scenarion, värsta och bästa tänkbara, modellerades i programmet HYDRUS 1D för att kunna bestämma inom vilket intervall en eventuell förorening i Uppsalaåsens grundvatten skulle kunna ligga. Även graden av förorening längst ner i infiltreringsbassängen, bestående av ett metertjockt lager sand som placerats ovanpå Uppsalaåsen för att bidra till reningsprocessen, modellerades och bestämdes för att bättre kunna förutse när byte av sand är lämpligast.Provet som visade högst virusborttagning, det vill säga det bästa tänkbara scenariot, var 11.77 % effektivare än provet med långsammast virusborttagning. Däremot bestämdes det att uppskattningen av maximal förorening var orealistisk eftersom det i modellen antogs att hela åsen bestod av sand, medan åsar i själva verket består av många andra fraktioner och jordarter utöver sand, till exempel grus och sten.Provet med snabbast virusborttagning hade bara 0.60 % större minskning i koncentration av virus efter att vattnet passerat infiltreringsbassängen, än provet med lägst virusborttagning. Denna studie föreslår därför att det är av litet värde att byta ut sanden i infiltrationsbassängen då denna procedur har liten påverkan på dricksvattenkvalitén generellt.

This thesis addresses the problem of gas distribution modelling for gas monitoring and gas detection. The presented research is particularly focused on the methods that are suitable for uncontrolled environments. In such environments, gas source locations and the physical properties of the environment, such as humidity and temperature may be unknown or only sparse noisy local measurements are available. Example applications include air pollution monitoring, leakage detection, and search and rescue operations. This thesis addresses how to efficiently obtain and compute predictive models that accurately represent spatio-temporal gas distribution. Most statistical gas distribution modelling methods assume that gas dispersion can be modelled as a time-constant random process. While this assumption may hold in some situations, it is necessary to model variations over time in order to enable applications of gas distribution modelling for a wider range of realistic scenarios. This thesis proposes two time-dependent gas distribution modelling methods. In the first method, a temporal (sub-)sampling strategy is introduced. In the second method, a time-dependent gas distribution modelling approach is presented, which introduces a recency weight that relates measurement to prediction time. These contributions are presented and evaluated as an extension of a previously proposed method called Kernel DM+V using several simulation and real-world experiments. The results of comparing the proposed time-dependent gas distribution modelling approaches to the time-independent version Kernel DM+V indicate a consistent improvement in the prediction of unseen measurements, particularly in dynamic scenarios under the condition that there is a sufficient spatial coverage. Dynamic scenarios are often defined as environments where strong fluctuations and gas plume development are present. For mobile robot olfaction, we are interested in sampling strategies that provide accurate gas distribution models given a small number of samples in a limited time span. Correspondingly, this thesis addresses the problem of selecting the most informative locations to acquire the next samples. As a further contribution, this thesis proposes a novel adaptive sensor planning method. This method is based on a modified artificial potential field, which selects the next sampling location based on the currently predicted gas distribution and the spatial distribution of previously collected samples. In particular, three objectives are used that direct the sensor towards areas of (1) high predictive mean and (2) high predictive variance, while (3) maximising the coverage area. The relative weight of these objectives corresponds to a trade-off between exploration and exploitation in the sampling strategy. This thesis discusses the weights or importance factors and evaluates the performance of the proposed sampling strategy. The results of the simulation experiments indicate an improved quality of the gas distribution models when using the proposed sensor planning method compared to commonly used methods, such as random sampling and sampling along a predefined sweeping trajectory. In this thesis, we show that applying a locality constraint on the proposed sampling method decreases the travelling distance, which makes the proposed sensor planning approach suitable for real-world applications where limited resources and time are available. As a real-world use-case, we applied the proposed sensor planning approach on a micro-drone in outdoor experiments. Finally, this thesis discusses the potential of using gas distribution modelling and sensor planning in large-scale outdoor real-world applications. We integrated the proposed methods in a framework for decision-making in hazardous inncidents where gas leakage is involved and applied the gas distribution modelling in two real-world use-cases. Our investigation indicates that the proposed sensor planning and gas distribution modelling approaches can be used to inform experts both about the gas plume and the distribution of gas in order to improve the assessment of an incident.

During the past decades, the development of laser technology has produced pulses with increasingly higher peak intensities. These can now be made such that their strength rivals, and even exceeds, the atomic potential at the typical distance of an electron from the nucleus. To understand the induced dynamics, one can not rely on perturbative methods and must instead try to get as close to the full machinery of quantum mechanics as practically possible. With increasing field strength, many exotic interactions such as magnetic, relativistic and higher order electric effects may start to play a significant role. To keep a problem tractable, only those effects that play a non-negligible role should be accounted for. In order to do this, a clear notion of their relative importance as a function of the pulse properties is needed.  In this thesis I study the interaction between atomic hydrogen and super-intense laser pulses, with the specific aim to contribute to the knowledge of the relative importance of different effects. I solve the time-dependent Schrödinger and Dirac equations, and compare the results to reveal relativistic effects. High order electromagnetic multipole effects are accounted for by including spatial variation in the laser pulse. The interaction is first described using minimal coupling. The spatial part of the pulse is accounted for by a series expansion of the vector potential and convergence with respect to the number of expansion terms is carefully checked. A significantly higher demand on the spatial description is found in the relativistic case, and its origin is explained. As a response to this demanding convergence behavior, an alternative interaction form for the relativistic case has been developed and presented. As a guide mark for relativistic effects, I use the classical concept of quiver velocity, vquiv, which is the peak velocity of a free electron in the polarization direction of a monochromatic electromagnetic plane wave that interacts with the electron. Relativistic effects are expected when vquiv reaches a substantial fraction of the speed of light c, and in this thesis I consider cases up to vquiv=0.19c. For the present cases, relativistic effects are found to emerge around vquiv=0.16c .

[pt] O Método Híbrido dos Elementos de Contorno foi introduzido em 1987. Desde então, o método foi aplicado com sucesso a diferentes tipos de problemas de elasticidade e potencial, inclusive problemas dependentes do tempo. Esta Tese apresenta uma tentativa para consolidar a formulação simplificada do Método Híbrido dos Elementos de Contorno para a análise geral da resposta dinâmica de sistemas elásticos. Baseado em um método de superposição modal, um conjunto acoplado de equações diferenciais de movimento de alta ordem é transformado em um conjunto desacoplado de equações diferenciais de segunda ordem que podem ser integradas normalmente por meio de procedimentos conhecidos. Este método também é uma extensão de uma formulação introduzida por J. S. Przemieniecki, para a análise de vibração livre de barras e elementos de viga baseada em uma série de freqüências. O método trata estruturas restringidas, com condições iniciais não homogêneas dadas como valores nodais e também através de campos prescritos no domínio, assim como forças genéricas de massa (além de forças inerciais). Esta tese também tem por objetivo estabelecer a consolidação conceitual da aplicação da versão simplificada do Método Híbrido dos Elementos de Contorno a materiais com gradação funcional. São obtidas várias classes de soluções fundamentais para problemas de potencial dependentes e independentes do tempo, para a análise no domínio da freqüência combinada com uma técnica avançada (mencionada acima) de superposição modal baseada em séries de freqüências. Com isso, consegue- se a utilização de integrais somente no contorno mesmo para materiais heterogêneos. Apresenta-se um grande número de resultados numéricos de problemas bidimensionais, para validação dos desenvolvimentos teóricos realizados. / [en] The hybrid boundary element method was introduced in 1987. Since then, the method has been successfully applied to different problems of elasticity and potential, including time-dependent problems. This thesis presents an attempt to consolidate a formulation for the general analysis of the dynamic response of elastic systems. Based on a mode- superposition technique, a set of coupled, higher-order differential equations of motion is transformed into a set of uncoupled second order differential equations, which may be integrated by means of standard procedures. The first motivation for these theoretical developments is the hybrid boundary element method, a generalization of T. H. H. Pian`s previous achievements for finite elements, which, requiring only boundary integrals, yields a stiffness matrix for arbitrary domain shapes and any number of degrees of freedom. The method is also an extension of a formulation introduced by J. S. Przemieniecki, for the free vibration analysis of bar and beam elements based on a power series of frequencies. It handles constrained and unconstrained structures, non-homogeneous initial conditions given as nodal values as well as prescribed domain fields and general domain forces (other than inertial forces). This thesis also focuses on establishing the conceptual framework for applying the simplified version of the hybrid boundary element method to functionally graded materials. Several classes of fundamental solutions for steady-state and time-dependent problems of potential are derived for a frequency-domain analysis combined with an advanced mode superposition technique based on a power series of frequencies. Thus, the boundary-only feature of the method is preserved even with such spatially varying material property.Several numerical examples are given in terms of an efficient patch test for irregular bounded, unbounded and multiply connected regions submitted to high gradients.