Η συνεισφορά της παρούσας διατριβής επικεντρώνεται στην ανάπτυξη και στη Μαθηματική θεμελίωση νέων μεθόδων συζυγών κλίσεων για βελτιστοποίηση χωρίς περιορισμούς και στη μελέτη νέων μεθόδων εκπαίδευσης νευρωνικών δικτύων και εφαρμογών τους. Αναπτύσσουμε δύο νέες μεθόδους βελτιστοποίησης, οι οποίες ανήκουν στην κλάση των μεθόδων συζυγών κλίσεων. Οι νέες μέθοδοι βασίζονται σε νέες εξισώσεις της τέμνουσας με ισχυρά θεωρητικά πλεονεκτήματα, όπως η προσέγγιση με μεγαλύτερη ακρίβεια της επιφάνεια της αντικειμενικής συνάρτησης. Επιπλέον, μία σημαντική ιδιότητα και των δύο προτεινόμενων μεθόδων είναι ότι εγγυώνται επαρκή μείωση ανεξάρτητα από την ακρίβεια της γραμμικής αναζήτησης, αποφεύγοντας τις συχνά αναποτελεσματικές επανεκκινήσεις. Επίσης, αποδείξαμε την ολική σύγκλιση των προτεινόμενων μεθόδων για μη κυρτές συναρτήσεις. Με βάση τα αριθμητικά μας αποτελέσματα καταλήγουμε στο συμπέρασμα ότι οι νέες μέθοδοι έχουν πολύ καλή υπολογιστική αποτελεσματικότητα, όπως και καλή ταχύτητα επίλυσης των προβλημάτων, υπερτερώντας σημαντικά των κλασικών μεθόδων συζυγών κλίσεων. Το δεύτερο μέρος της διατριβής είναι αφιερωμένο στην ανάπτυξη και στη μελέτη νέων μεθόδων εκπαίδευσης νευρωνικών δικτύων. Προτείνουμε νέες μεθόδους, οι οποίες διατηρούν τα πλεονεκτήματα των κλασικών μεθόδων συζυγών κλίσεων και εξασφαλίζουν τη δημιουργία κατευθύνσεων μείωσης αποφεύγοντας τις συχνά αναποτελεσματικές επανεκκινήσεις. Επιπλέον, αποδείξαμε ότι οι προτεινόμενες μέθοδοι συγκλίνουν ολικά για μη κυρτές συναρτήσεις. Τα αριθμητικά αποτελέσματα επαληθεύουν ότι οι προτεινόμενες μέθοδοι παρέχουν γρήγορη, σταθερότερη και πιο αξιόπιστη σύγκλιση, υπερτερώντας των κλασικών μεθόδων εκπαίδευσης. Η παρουσίαση του ερευνητικού μέρους της διατριβής ολοκληρώνεται με μία νέα μέθοδο εκπαίδευσης νευρωνικών δικτύων, η οποία βασίζεται σε μία καμπυλόγραμμη αναζήτηση. Η μέθοδος χρησιμοποιεί τη BFGS ενημέρωση ελάχιστης μνήμης για τον υπολογισμό των κατευθύνσεων μείωσης, η οποία αντλεί πληροφορία από την ιδιοσύνθεση του προσεγγιστικού Eσσιανού πίνακα, αποφεύγοντας οποιαδήποτε αποθήκευση ή παραγοντοποίηση πίνακα, έτσι ώστε η μέθοδος να μπορεί να εφαρμοστεί για την εκπαίδευση νευρωνικών δικτύων μεγάλης κλίμακας. Ο αλγόριθμος εφαρμόζεται σε προβλήματα από το πεδίο της τεχνητής νοημοσύνης και της βιοπληροφορικής καταγράφοντας πολύ καλά αποτελέσματα. Επίσης, με σκοπό την αύξηση της ικανότητας γενίκευσης των εκπαιδευόμενων δικτύων διερευνήσαμε πειραματικά και αξιολογήσαμε την εφαρμογή τεχνικών μείωσης της διάστασης δεδομένων στην απόδοση της γενίκευσης των τεχνητών νευρωνικών δικτύων σε μεγάλης κλίμακας δεδομένα βιοϊατρικής. / The contribution of this thesis focuses on the development and the Mathematical foundation of new conjugate gradient methods for unconstrained optimization and on the study of new neural network training methods and their applications. We propose two new conjugate gradient methods for unconstrained optimization. The proposed methods are based on new secant equations with strong theoretical advantages i.e. they approximate the surface of the objective function with higher accuracy. Moreover, they have the attractive property of ensuring sufficient descent independent of the accuracy of the line search, avoiding thereby the usual inefficient restarts. Further, we have established the global convergence of the proposed methods for general functions under mild conditions. Based on our numerical results we conclude that our proposed methods outperform classical conjugate gradient methods in both efficiency and robustness. The second part of the thesis is devoted on the study and development of new neural network training algorithms. More specifically, we propose some new training methods which preserve the advantages of classical conjugate gradient methods while simultaneously ensure sufficient descent using any line search, avoiding thereby the usual inefficient restarts. Moreover, we have established the global convergence of our proposed methods for general functions. Encouraging numerical experiments on famous benchmarks verify that the presented methods provide fast, stable and reliable convergence, outperforming classical training methods. Finally, the presentation of the research work of this dissertation is fulfilled with the presentation of a new curvilinear algorithm for training large neural networks which is based on the analysis of the eigenstructure of the memoryless BFGS matrices. The proposed method preserves the strong convergence properties provided by the quasi-Newton direction while simultaneously it exploits the nonconvexity of the error surface through the computation of the negative curvature direction without using any storage and matrix factorization. Our numerical experiments have shown that the proposed method outperforms other popular training methods on famous benchmarks. Furthermore, for improving the generalization capability of trained ANNs, we explore the incorporation of several dimensionality reduction techniques as a pre-processing step. To this end, we have experimentally evaluated the application of dimensional reduction techniques for increasing the generalization capability of neural network in large biomedical datasets.

<p>This dissertation focuses on a FFT based forward EM solver and its application in inverse problems. The main contributions of this work are two folded. On the one hand, it presents the first scaled lab experiment system in the oil and gas industry for through casing hydraulic fracture evaluation. This system is established to validate the feasibility of contrasts enhanced fractures evaluation. On the other hand, this work proposes a FFT based VIE solver for hydraulic fracture evaluation. This efficient solver is needed for numerical analysis of such problem. The solver is then generalized to accommodate scattering simulations for anisotropic inhomogeneous magnetodielectric objects. The inverse problem on anisotropic objects are also studied.</p><p>Before going into details of specific applications, some background knowledge is presented. This dissertation starts with an introduction to inverse problems. Then algorithms for forward and inverse problems are discussed. The discussion on forward problem focuses on the VIE formulation and a frequency domain solver. Discussion on inverse problems focuses on iterative methods.</p><p>The rest of the dissertation is organized by the two categories of inverse problems, namely the inverse source problem and the inverse scattering problem. </p><p>The inverse source problem is studied via an application in microelectronics. In this application, a FFT based inverse source solver is applied to process near field data obtained by near field scanners. Examples show that, with the help of this inverse source solver, the resolution of unknown current source images on a device under test is greatly improved. Due to the improvement in resolution, more flexibility is given to the near field scan system.</p><p>Both the forward and inverse solver for inverse scattering problems are studied in detail. As a forward solver for inverse scattering problems, a fast FFT based method for solving VIE of magnetodielectric objects with large electromagnetic contrasts are presented due to the increasing interest in contrasts enhanced full wave EM imaging. This newly developed VIE solver assigns different basis functions of different orders to expand flux densities and vector potentials. Thus, it is called the mixed ordered BCGS-FFT method. The mixed order BCGS-FFT method maintains benefits of high order basis functions for VIE while keeping correct boundary conditions for flux densities and vector potentials. Examples show that this method has an excellent performance on both isotropic and anisotropic objects with high contrasts. Examples also verify that this method is valid in both high and low frequencies. Based on the mixed order BCGS-FFT method, an inverse scattering solver for anisotropic objects is studied. The inverse solver is formulated and solved by the variational born iterative method. An example given in this section shows a successful inversion on an anisotropic magnetodielectric object. </p><p>Finally, a lab scale hydraulic fractures evaluation system for oil/gas reservoir based on previous discussed inverse solver is presented. This system has been setup to verify the numerical results obtained from previously described inverse solvers. These scaled experiments verify the accuracy of the forward solver as well as the performance of the inverse solver. Examples show that the inverse scattering model is able to evaluate contrasts enhanced hydraulic fractures in a shale formation. Furthermore, this system, for the first time in the oil and gas industry, verifies that hydraulic fractures can be imaged through a metallic casing.</p> / Dissertation

Submitted by Ana Maria Fiscina Sampaio (fiscina@bahia.fiocruz.br) on 2014-12-04T17:14:15Z No. of bitstreams: 1 Cristiane Wanderley Cardoso.2014.pdf: 6973850 bytes, checksum: 2b778663b6a0d8b4c10a7a53b6fa3e4d (MD5) / Made available in DSpace on 2014-12-04T17:14:15Z (GMT). No. of bitstreams: 1 Cristiane Wanderley Cardoso.2014.pdf: 6973850 bytes, checksum: 2b778663b6a0d8b4c10a7a53b6fa3e4d (MD5) Previous issue date: 2014 / Fundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, Brasil / Introdução: A doença meningocócica (DM) é causada pela bactéria Neisseria meningitidis, sendo um importante problema de saúde pública no mundo. Atualmente, a Neisseria meningitidis sorogrupo C (NmC) tem sido o principal agente da DM na Bahia. Em 2010 ocorreu uma epidemia de DM pela NmC em Salvador, e a fim de contê-la, a Secretaria Estadual de Saúde introduziu em fevereiro de 2010, a vacina meningocócica C conjugada (MenC) para crianças menores de cinco anos, incluindo campanhas de vacinação para indivíduos de 10 a 24 anos. Objetivos: Descrever a incidência da DM, avaliar a efetividade da vacina MenC e caracterizar os fenótipos e genótipos das cepas circulantes da N. meningitidis nos períodos pré e pós-introdução da vacina MenC. Metodologia: Realizamos um estudo descritivo-analítico, comparando incidências nas coortes de vacinados e não vacinados nos períodos pré e pós-introdução da vacina MenC. Analisamos a efetividade da vacina MenC utilizando o método “screening” e um estudo tipo caso-controle. A efetividade da vacina MenC foi baseada no odds-ratio (IC 95%; pvalor <0,05). Para caracterização molecular da NmC, utilizamos a técnica de Eletroforese em Campo Pulsátil (PFGE) e da Tipagem de Sequências Multilocus (MLST). Resultados: Entre crianças <5 anos, a incidência da DM (2,00 p/100.000 hab.) no período pós-vacina foi significativamente menor (RR 0,27; IC 95%, 0,09-0,75) do que as taxas médias (7,49 p/100.000 hab.) no período pré-vacina. Em ambos estudos, a efetividade de uma única dose da vacina MenC foi elevada, variando entre 79-100% e 89-100% (IC 95%), respectivamente. O fenótipo C:23:P1.14-6 foi o mais prevalente entre os isolados e os casos atribuídos à NmC foram associados ao tipo de sequências 3779 e 3780, ambas pertencentes ao complexo clonal 103. Conclusão: Os resultados dos estudos demonstraram elevada efetividade (100%) da vacina MenC introduzida em Salvador através de campanhas. No ano seguinte à introdução da vacina MenC, houve redução de 50% na incidência da DM em Salvador. Em 2010, a epidemia da DM em Salvador deveuse à expansão do fenótipo C:23:P1.14-6, pertencente ao complexo clonal ST103, o qual já circulava em Salvador desde 1996. / Introduction: Meningococcal disease (MD) is caused by bacterium Neisseria meningitidis and is a major public health problem worldwide. Currently the Neisseria meningitidis serogroup C (NmC) has been the main cause of MD in Bahia, Brazil. In order to contain the 2010 epidemic of MD caused by NmC that occurred in the city of Salvador, the State Department of Health introduced in February 2010 the meningococcal C conjugate vaccine (MenC) to <5 year-old children, including vaccination campaigns for individuals from 10-24 years. Objectives: Describe trends in incidence of MD, estimate the effectiveness of MenC vaccine, and characterize the phenotypes and genotypes of the circulating strains of N. meningitidis in the pre and post-introduction of the MenC vaccine. Methods: A descriptiveanalytical study was realized comparing incidences in cohorts vaccinated and unvaccinated pre and post introduction of the MenC vaccine. We analyze the effectiveness of MenC vaccine using the screening method and a case-control study. The effectiveness of MenC vaccine was based on the odds-ratio (CI 95%). We performed molecular analyses by pulsed field gel electrophoresis (PFGE) and by multi-locus sequencing typing (MLST). Results: Among children <5 years, the incidence of DM in the post-vaccine period (2.00 p/ 100,000 inhabitants) was significantly lower (RR 0.27, 95% CI 0.09 to 0.75) than the rates averages in the pre-vaccine period (7.49 p/ 100,000 inhab.). In both studies the effectiveness of a single dose of MenC vaccine was 100%, CI ranging from 79-100% and 89-100% (CI 95%), respectively. The phenotype C:23:P1.14-6 was the most prevalent among isolates and cases assigned to NmC were associated with the sequences types 3779 and 3780, both belonging to the clonal complex 103 which has been circulating in Salvador since 1996. Conclusions: The results of the studies showed high effectiveness (100%) of MenC vaccine introduced in Salvador through campaigns. In following the introduction of the MenC vaccine, there was a 50% reduction in the incidence of DM in Salvador. In 2010, the epidemic of DM in Salvador was due to the expansion of the phenotype C: 23: P1.14-6 belonging to the ST103 clonal complex, which was circulating in Salvador since 1996.

Diaconis and Ylvisaker (1979) give necessary conditions for conjugate priors for distributions from the natural exponential family to be proper as well as to have the property of linear posterior expectation of the mean parameter of the family. Their conditions for propriety and linear posterior expectation are also sufficient if the natural parameter space is equal to the set of all d-dimensional real numbers. In this paper their results are extended to characterize when conjugate priors are proper if the natural parameter space is bounded. For the special case where the natural exponential family is through a spherical probability distribution n,we show that the proper conjugate priors can be characterized by the behavior of the moment generating function of n at the boundary of the natural parameter space, or the second-order tail behavior of n. In addition, we show that if these families are non-regular, then linear posterior expectation never holds. The results for this special case are also extended to natural exponential families through elliptical probability distributions.

Objetivos: Avaliar o impacto global, direto, indireto e a tendência da duração de proteção da vacinação contra o Haemophilus influenzae tipo b (Hib), no estado de São Paulo (ESP) e no município de São Paulo (MSP), na população de 0 - 59 meses, comparando os períodos pré-vacinal (1996 - 1998) e pós-vacinal (2001 - 2009). Métodos: estudo com componente descritivo e de cunho analítico, retrospectivo. A população de estudo incluiu os menores de cinco anos residentes no ESP e no MSP. Adotou-se como definição de caso confirmado o menor de cinco anos identificado como positivo para o Hib em cultura e/ou contraimunoeletroforese e/ou látex e/ou RT-PCR, em amostra de LCR e sangue, e/ou vínculo epidemiológico. Os dados foram obtidos a partir do SINAN, SIGH-Web Instituto Adolfo Lutz e Fundação IBGE. As variáveis de estudo incluíram as demográficas, clínicas e relativas ao agente, apresentadas em séries temporais e períodos estabelecidos para parametrização e comparabilidade. O parâmetro das avaliações de impacto foi a magnitude da variação da incidência de meningite causada pelo Hib. Para cada estimativa de impacto construiu-se um Intervalo de Confiança (IC) de 95 por cento a partir do cálculo de Risco Relativo (RR). As estimativas do risco relativo (RR) e os respectivos intervalos de 95 por cento de confiança foram analisados utilizando-se o software R. Resultados: nos períodos considerados, foram descritos 1.561 casos confirmados de meningites por Hib no ESP, sendo 27,16 por cento (424/1.561) no MSP, e 80,78 por cento (1.261/1.561) dos casos foram registrados em menores de cinco anos. A maioria dos casos foi confirmada por cultura, com percentual médio de 65 por cento no ESP e 66 por cento no MSP. As taxas médias de incidência de meningites por Hib mais significativas no período pré-vacinal verificaram-se nos menores de um ano (30,56/105- ESP; 32,06/105 - MSP), considerada a faixa etária de maior risco de adoecimento. Após a introdução da vacina contra o Hib em 1999 (menores de dois anos), as taxas de incidência de meningites por Hib declinaram de forma sustentável nos períodos subsequentes analisados. A incidência de meningite por Hib durante o período pós-vacinal variou de 4,02/105- 1,68/105 nos menores de um ano, no ESP e MSP respectivamente e, de forma similar, de 1,43/105 1,01/105 nos menores de cinco anos. Nos menores de 7 - 23 meses (impacto direto), o percentual de redução foi de 95,11 por cento [66,43 - 99,29] no ESP e 95,91 por cento [70,63 - 99,43] no MSP. O impacto global observado nos menores de cinco anos foi 88,19 por cento [26,58 - 98,10] no ESP e 91,06 por cento [33,99 - 98,79] no MSP. Os dados de vigilância mostram que os casos de meningites por Hib continuam ocorrendo, porém em níveis baixos, ao longo de 10 anos após a introdução do esquema de três doses primárias da vacina conjugada específica. Conclusão: a partir deste racional pode-se inferir a utilidade prática e econômica a favor desta modalidade programática adotada no território paulista, com a evidência de redução relativa de meningites por Hib. / Objectives: To evaluate global impact, direct and indirect, as well as the tendency of the duration of vaccine protection against Haemophilus influenzae type b (Hib) in the state of São Paulo (ESP) and in the city of São Paulo (MSP), amongst the population between 0-59 months of age during the periods pre-vaccine (1996-1998) and post vaccine (2001-2009). Methods: a retrospective study with a descriptive component and with analytic venue. Studied population included children under five years old, dwelling in ESP and MSP. Criteria adopted as definition of confirmed case was child under five years of age identified as positive for Hib in culture and/or counterimmunelectroforesis and/or latex and/or RT/PCR, in LCR sample and blood. and/or epidemiologic link. Data were obtained from the SINAN, SIGH-Web Instituto Adolfo Lutz and IBGE Foundation. Variables under study included socio-demographic and clinical ones, and those related to the agent; they were presented in temporal series and periods established in order to allow parametric and comparison. Impact evaluation was established upon the variation of incidence magnitude of meningitis caused by Hib. For each impact estimate a Confidence Interval (IC) of 95 per cent from the calculus of Relative Risk (RR). Estimates of relative risk (RR) and the respective intervals of 95 per cent confidence were analyzed employing the R software. Results: During the analyzed periods 1561 confirmed cases of meningitis caused by Hib were described in the state of São Paulo, 27.16 per cent of which (424/1561) in MSP; 80.78 per cent (1261/1561) of the registered cases occurred in children under five years of age. The majority of the cases were confirmed by culture, with an average percentage of 65 per cent in ESP and 66 per cent in MSP. More significant average rates of meningitis per Hib during the pre-vaccine period were registered in children under one year of age (30.56/105- ESP; 32.06/105 - MSP), considered the bracket under higher risk of disease. After the introduction of the vaccine against Hib, in 1999 (for children under two years of age), the rates of meningitis incidence per Hib decreased in sustainable fashion for the subsequent periods analyzed. The incidence of meningitis per Hib during the post vaccine period varied from 4.02/105 - 1.68/105 for children under one year old, in ESP and MSP, respectively and, in similar way, from 1.43/105 to 1.01/105 for those under five years old. For children between 7-23 months old (direct impact), the percentage of reduction was of 95.11 per cent [66.43 - 99.29] in ESP and 95.91 per cent [70.63 - 99.43] in MSP, whereas the global impact observed in children under five years old was 88.19 per cent [26.58 - 98.10] in ESP and 91.06 per cent [33.99 98.79] in MSP. Surveillance data show that cases of meningitis by Hib continue to occur but in low levels along 10 years after the introduction of the three doses primary scheme of administration of the specific conjugated vaccine. Conclusion: from this rationale, it is possible to infer the practical and economic utility favoring this programmatic modality adopted in São Paulo, with the evidence of the relative reduction of meningitis caused by Hib.

Dada uma palavra w e um grupo G, suponha que o conjunto Gw pode ser coberto por finitos subgrupos cÃclicos. à verdade que w(G) tambÃm pode ser coberto por finitos subgrupos cÃclicos? Nesta dissertaÃÃo mostraremos que a resposta à positiva para a palavra comutador. / Given a word w and a group G, suppose that the set can be Gw covered by finite cyclic subgroups. It is true that w(G) can also be covered by finite cyclic subgroups? This dissertation will show that the answer is positive for the word switch.

Orientador: Denis José Schiozer / Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Mecânica e Instituto de Geociências / Made available in DSpace on 2018-08-24T00:34:10Z (GMT). No. of bitstreams: 1 Pinto_MarcioAugustoSampaio_D.pdf: 5097853 bytes, checksum: bc8b7f6300987de2beb9a57c26ad806a (MD5) Previous issue date: 2013 / Resumo: Neste trabalho, um método de otimização assistido é proposto para estabelecer uma comparação refinada entre poços convencionais e inteligentes, considerando incertezas geológicas e econômicas. Para isto é apresentada uma metodologia dividida em quatro etapas: (1) representação e operação dos poços no simulador; (2) otimização das camadas/ou blocos completados nos poços convencionais e do número e posicionamento das válvulas nos poços inteligentes; (3) otimização da operação dos poços convencionais e das válvulas nos poços inteligentes, através de um método híbrido de otimização, composto pelo algoritmo genético rápido, para realizar a otimização global, e pelo método de gradiente conjugado, para realizar a otimização local; (4) uma análise de decisão considerando os resultados de todos os cenários geológicos e econômicos. Esta metodologia foi validada em modelos de reservatórios mais simples e com configuração de poços verticais do tipo five-spot, para em seguida ser aplicada em modelos de reservatórios mais complexos, com quatro poços produtores e quatro injetores, todos horizontais. Os resultados mostram uma clara diferença ao aplicar a metodologia proposta para estabelecer a comparação entre os dois tipos de poços. Apresenta também a comparação entre os resultados dos poços inteligentes com três tipos de controle, o reativo e mais duas formas de controle proativo. Os resultados mostram, para os casos utilizados nesta tese, uma ampla vantagem em se utilizar pelo menos uma das formas de controle proativo, ao aumentar a recuperação de óleo e VPL, reduzindo a produção e injeção de água na maioria dos casos / Abstract: In this work, an assisted optimization method is proposed to establish a refined comparison between conventional and intelligent wells, considering geological and economic uncertainties. For this, it is presented a methodology divided into four steps: (1) representation and operation of wells in the simulator, (2) optimization of the layers /blocks with completion in conventional wells and the number and placement of the valves in intelligent wells; (3) optimization of the operation of the conventional and valves in the intelligent, through a hybrid optimization method, comprising by fast genetic algorithm, to perform global optimization, and the conjugate gradient method, to perform local optimization; (4) decision analysis considering the results of all geological and economic scenarios. This method was validated in simple reservoir models and configuration of vertical wells with five-spot type, and then applied to a more complex reservoir model, with four producers and four injectors wells, all horizontal. The results show a clear difference in applying the proposed methodology to establish a comparison between the two types of wells. It also shows the comparison between the results of intelligent wells with three types of control, reactive and two ways of proactive control. The results show, for the cases used in this work, a large advantage to use intelligent wells with at least one form of proactive control, to enhance oil recovery and NPV, reducing water production and injection in most cases / Doutorado / Reservatórios e Gestão / Doutor em Ciências e Engenharia de Petróleo

We consider the decomposition of a maximal monotone operator into the sum of an antisymmetric operator and the subdifferential of a proper lower semicontinuous convex function. This is a variant of the well-known decomposition of a matrix into its symmetric and antisymmetric part. We analyze in detail the case when the graph of the operator is a linear subspace. Equivalent conditions of monotonicity are also provided. We obtain several new results on auto-conjugate representations including an explicit formula that is built upon the proximal average of the associated Fitzpatrick function and its Fenchel conjugate. These results are new and they both extend and complement recent work by Penot, Simons and Zălinescu. A nonlinear example shows the importance of the linearity assumption. Finally, we consider the problem of computing the Fitzpatrick function of the sum, generalizing a recent result by Bauschke, Borwein and Wang on matrices to linear relations. / Graduate Studies, College of (Okanagan) / Graduate

Cette étude porte sur le transfert thermique pariétal dans un canal plan turbulent. L'étude est théorique et numérique. Nos simulations directes (DNS) sont effectuées avec le code de calcul Incompact3d. On a porté un intérêt particulier aux grandeurs que l'on trouve dans les bilans des flux thermiques turbulents et de la variance de la température : ces données permettent de valider les modèles de type RANS. On analyse également nos simulation à l'aune de statistiques plus fines, telles que les corrélations en 2 points. On distingue 2 traitements de la thermique dans le cas du canal plan turbulent : avec ou sans prise en compte du transfert thermique conjugué (couplage thermique fluide/solide). Pour les cas avec transfert thermique conjugué, on a mis en évidence une condition de compatibilité dans l'espace spectral entre la température et le flux de chaleur à l'interface fluide-solide. En l'absence de transfert thermique conjugué, notre étude se borne aux conditions limites qui sont une combinaison linéaire à coefficients constants de la température et du flux de chaleur à la paroi (Dirichlet, Neumann, Robin). Pour ces conditions aux limites simples, on met en évidence une condition de compatibilité entre les valeurs pariétales de la variance de la température et la partie normale de la dissipation associée. D'une part, cette relation souligne les limites des simulations avec une température ou un flux imposé à la paroi. D'autre part, elle permet de construire des conditions de type Robin sur-mesure qui donnent des résultats proches de ceux obtenus avec transfert thermique conjugué pour la configuration du canal plan turbulent. / This study focuses on the turbulent heat transfer in the turbulent channel flow configuration. Our Direct Numerical Simulations are performed using the open-source code Incompact3d. As our target is to produce data for RANS models validation, the budgets of the turbulent heat fluxes and of the temperature variance are extracted. Two-point correlations for the temperature and wall-normal heat flux are also presented to deepen our analysis. Regarding the thermal field, 2 configurations are considered: with and without conjugate heat transfer (thermal coupling between the fluid and solid domains). For conjugate heat transfer cases, a novel compatiblity condition, expressed in the spectral space, connects the temperature and wall-normal heat flux at the fluid-solid interface. For non-conjugate cases, our study is limited to boundary conditions that impose a linear combination of the temperature and wall-normal heat flux at the wall using constant coefficients (Dirichlet, Neumann, Robin). For such simple boundary conditions, a novel compatibility condition is obtained which connects the wall-value of the temperature variance and the wall-normal part of the associated dissipation rate. On one hand, this condition highlights the limitations of an imposed temperature or heat-flux at the wall. On the other, it allows us to build tailored Robin boundary conditions able to reproduce satisfactorily present conjugate heat-transfer results in the channel flow configuration.

De nouvelles méthodologies en catalyse asymétrique au cuivre ont été développées. D’une part, une réaction d’addition conjuguée asymétrique 1,4 du diméthylzinc sur des acylimidazoles a,b-insaturés catalysée par un complexe cuivre-NHC a été mise au point, avec une excellente énantiosélectivité. Cette réaction a été étendue à des acylimidazoles a,b,g,d-insaturés : les produits d’addition 1,4 ont été obtenus de manière hautement régio- et énantio-sélective. Cette sélectivité originale (1,4 vs 1,6) a pu être rationnalisée par des calculs DFT. La transformation de la fonction acylimidazole a ensuite ouvert l’accès à un processus itératif d’additions conjuguées. Cette stratégie a conduit à la synthèse de motifs polydéoxypropionates : la versatilité de cette méthodologie a été illustrée grâce à la synthèse de motifs syn,syn et anti,anti avec une excellente diastéréosélectivité. Différentes applications en synthèse de produits naturels et bioactifs ont permis d’illustrer le potentiel de cette méthodologie. / New methodologies in asymmetric copper catalysis have been developed. First, a reaction of 1,4-asymmetric conjugate addition of dimethylzinc on a,b-unsaturated acylimidazoles catalysed by a copper-NHC complex has been developed, with an excellent enantioselectivity. This reaction has been extended to a,b,g,d-unsaturated acylimidazoles: 1,4-addition products have been obtained with high regio- and enantio-selectivity. This original selectivity (1,4 vs 1,6) has rationalized by DFT calculations. The transformation of the acylimidazole moiety led us to an iterative process of conjugate additions. This strategy has guided us towards the synthesis of polydeoxypropionate motifs: the versatility of the methodology has been illustrated via the synthesis of syn,syn and anti,anti motifs with high diastereoselectivities. Different applications in natural and bioactive product synthesis allowed us to illustrate the potential of this methodology.