The scope of this research concerns the passive damping of structural vibrations by the use of viscoelastic layers. It is motivated by the need for efficient numerical tools to deal with the medium frequency behaviour of industrial viscoelastic sandwich products. The sandwich modelling technique is based on the use of an interface element: the two deformable plates are modelled by special plate elements while the intermediate dissipative layer is modelled with interface elements. This interface element is based on the first-order shear deformation theory and assume constant peel and shear stresses in the polymer thickness. This element couples the lower and upper layers without additional degrees of freedom. The partition of unity finite element method (PUFEM) is applied to the development of enriched Mindlin plate elements. The element shape functions are obtained as the product of<p>partition of unity functions with arbitrary chosen enrichment functions. Polynomial enrichment leads to the generation of high-order polynomial shape functions and is therefore similar to a p-FEM technique. Numerical examples illustrate the use of both PUFEM Mindlin plate elements and interface elements for the simulation of viscoelastic sandwich structures. / Doctorat en sciences appliquées / info:eu-repo/semantics/nonPublished

Drei Verteilungskoeffizienten, die für physiologie-basierte Pharmakokinetik (PBPK)-Modelle relevant sind, wurden mit verschiedenen Ansätzen modelliert. Für den Blut/Luft-Verteilungskoeffizienten wurde ein auf linearen Solvatations-Energie-Beziehungen (LSER) beruhendes Literaturmodell angewendet und diskutiert. Mit einer schematischen Aufteilung des Blutkompartiments in Wasser und einen organischen Teil wurde der Blut/Luft-Verteilungskoeffizient mit einer linearen Regression von anderen Verteilungskoeffizienten vorhergesagt. Zusätzlich wurde ein Fragmentmodell entwickelt. Der Fett/Luft-Verteilungskoeffizient wurde mit dem LSER-Ansatz und mit anderen Verteilungskoeffizienten modelliert. Der Koeffizient Fett/Blut wurde aus den ersten beiden errechnet. Da der inverse dimensionslose Henry-Koeffizient Wasser/Luft-Verteilungskoeffizient bei der Blut/Luft-Modellierung zum Einsatz kommt und dieser aus dem Dampfdruck und der Wasserlöslichkeit gewonnen werden kann, wurde der Dampfdruck ebenfalls modelliert.

Experimental data were obtained for the computation of mole fraction solubilities of three dichloronitrobenzenes in organic solvents at 25oC, and solubility ratios were obtained from this data. Abraham model equations were developed for solutes in tributyl phosphate that describe experimental values to within 0.15 log units, and correlations were made to describe solute partitioning in systems that contain either "wet" or "dry" tributyl phosphate. Abraham model correlations have also been developed for solute transfer into anhydrous diisopropyl ether, and these correlations fit in well with those for other ethers. Abraham correlations for the solvation of enthalpy have been derived from experimental and literature data for mesitylene, p-xylene, chlorobenzene, and 1,2-dichlorobenzene at 298.15 K. In addition, the enthalpy contribution of hydrogen bonding between these solutes and acidic solvents were predicted by these correlations and were in agreement with an established method. Residual plots corresponding to Abraham models developed in all of these studies were analyzed for trends in error between experimental and calculated values.

The interplay between spectrum and structure of graphs is the recurring theme of the three more or less independent chapters of this thesis. The first chapter provides a method to relate the eigensolutions of two matrices, one being the principal submatrix of the other, via an arbitrary annihilating polynomial. This is extended to lambda-matrices and to matrices the entries of which are rational functions in one variable. The extension may be interpreted as a possible generalization of other known techniques which aim at reducing the size of a matrix while preserving the spectral information. Several aspects of an application in order to reduce the computational costs of ordinary eigenvalue problems are discussed. The second chapter considers the straightforward extension of the well known concept of equitable partitions to weighted graphs, i.e. complex matrices. It provides a method to divide the eigenproblem into smaller parts corresponding to the front divisor and its complementary factor in an easy and stable way with complexity which is only quadratic in matrix size. The exploitation of several equitable partitions ordered by refinement is discussed and a suggestion is made that preserves hermiticity if present. Some generalizations of equitable partitions are considered and a basic procedure for finding an equitable partition of complex matrices is given. The third chapter deals with isospectral and unitary equivalent graphs. It introduces a construction for unitary equivalent graphs which contains the well known GM-switching as a special case. It also considers an algebra of graph matrices generated by the adjacency matrix that corresponds to the 1-dimensional Weisfeiler-Lehman stabilizer in a way that mimics the correspondence of the coherent closure and the 2-dimensional Weisfeiler-Lehman stabilizer. The algebra contains the degree matrix, the (combinatorial, signless and normalized) Laplacian and the Seidel matrix. An easy construction produces graph pairs that are simultaneously unitary equivalent w.r.t. that algebra.

Cette thèse porte sur l'alignement automatique d'un enregistrement audio avec la partition de musique correspondante. Nous adoptons une approche probabiliste et proposons une démarche théorique pour la modélisation algorithmique de ce problème d'alignement automatique. La question est de modéliser l'évolution temporelle des événements par des processus stochastiques. Notre démarche part d'une spécificité de l'alignement musical : une partition attribue à chaque événement une durée nominale, qui est une information a priori sur la durée probable d'occurrence de l'événement. La problématique qui nous occupe est celle de la modélisation probabiliste de cette information de durée. Nous définissons la notion de cohérence temporelle à travers plusieurs critères de cohérence que devrait respecter tout algorithme d'alignement musical. Ensuite, nous menons une démarche axiomatique autour du cas des modèles de semi-Markov cachés. Nous démontrons que ces critères sont respectés lorsque des conditions mathématiques particulières sont vérifiées par les lois a priori du modèle probabiliste de la partition. Ces conditions proviennent de deux domaines mathématiques jusqu'ici étrangers à la question de l'alignement : les processus de Lévy et la totale positivité d'ordre deux. De nouveaux résultats théoriques sont démontrés sur l'interrelation entre ces deux notions. En outre, les bienfaits pratiques de ces résultats théoriques sont démontrés expérimentalement sur des algorithmes d'alignement en temps réel. / This thesis deals with automatic alignment of audio recordings with corresponding music scores. We study algorithmic solutions for this problem in the framework of probabilistic models which represent hidden evolution on the music score as stochastic process. We begin this work by investigating theoretical foundations of the design of such models. To do so, we undertake an axiomatic approach which is based on an application peculiarity: music scores provide nominal duration for each event, which is a hint for the actual and unknown duration. Thus, modeling this specific temporal structure through stochastic processes is our main problematic. We define temporal coherency as compliance with such prior information and refine this abstract notion by stating two criteria of coherency. Focusing on hidden semi-Markov models, we demonstrate that coherency is guaranteed by specific mathematical conditions on the probabilistic design and that fulfilling these prescriptions significantly improves precision of alignment algorithms. Such conditions are derived by combining two fields of mathematics, Lévy processes and total positivity of order 2. This is why the second part of this work is a theoretical investigation which extends existing results in the related literature.

Let <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Cmathbb%7BP%7D%20=%20(%5Cmathbb%7BP%7D,%20%5Cpreceq)" data-classname="equation_inline" data-title="" /> be a finite poset (partially ordered set) with cardinality <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?n" data-classname="equation_inline" data-title="" />. A linear extension of <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Cmathbb%7BP%7D" data-classname="equation_inline" data-title="" /> is an order-preserving bijection <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Csigma" data-classname="equation_inline" data-title="" />: <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Cmathbb%7BP%7D%20%5Crightarrow%20%5Bn%5D" data-classname="equation_inline" data-title="" />, that is, if <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?x%20%5Cpreceq%20y" data-classname="equation_inline" data-title="" /> in <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Cmathbb%7BP%7D" data-classname="equation_inline" data-title="" /> then <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Csigma(x)%20%5Cle%20%5Csigma(y)" data-classname="equation_inline" data-title="" />. We define the poset probability <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?P(%5Calpha%20%5Cpreceq%20%5Cbeta)" data-classname="equation_inline" data-title="" /> as the proportion of linear extensions where <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Csigma(%5Calpha)%20%5Cle%20%5Csigma(%5Cbeta)" data-classname="equation_inline" data-title="" />. We are primarily interested in <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?P(%5Calpha%20%5Cpreceq%20%5Cbeta)" data-classname="equation_inline" data-title="" /> for incomparable elements <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Calpha%20%5Cparallel%20%5Cbeta" data-classname="equation" data-title="" />. The probability has significance in areas such as information theory. Let <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?e(%5Cmathbb%7BP%7D)" data-classname="equation_inline" data-title="" /> denote the total number of linear extensions of <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Cmathbb%7BP%7D" data-classname="equation_inline" data-title="" />. We prove that the poset probability can be evaluated as <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?P(%5Calpha%20%5Cpreceq%20%5Cbeta)%20=%20%5Cfrac%7B%20%5Csum_%7BT%20%5Cin%20B(%5Calpha,%5Cbeta)%7D%20e(T)%20e(%5Cmathbb%7BP%7D%20%5Csetminus%20(T%20%5Ccup%20%5C%7B%5Calpha%5C%7D))%7D%7Be(%5Cmathbb%7BP%7D)%7D" data-classname="equation" data-title="" /> where <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?B(%5Calpha,%5Cbeta)" data-classname="equation_inline" data-title="" /> is the set of order ideals of <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Cmathbb%7BP%7D" data-classname="equation_inline" data-title="" /> without <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Calpha" data-classname="equation" data-title="" /> or <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Cbeta" data-classname="equation" data-title="" />, where we can add <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Calpha" data-classname="equation_inline" data-title="" /> to get a new order ideal of <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Cmathbb%7BP%7D" data-classname="equation_inline" data-title="" />. The practicality of the preceding formula is explored and we show that <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?T%20%5Cin%20B(%5Calpha,%5Cbeta)%20%5CLeftrightarrow%20%5Cleft%5C%7B%20x%20%7C%20x%20%5Cprec%20%5Calpha%20%5Cright%5C%7D%20%5Csubseteq%20T%20%5Ctext%7B%20and%20%7D%20T%20%5Ctext%7B%20order%20ideal%20of%20%7D%0A%5Cleft%5C%7B%20x%20%7C%20%5Calpha%20%5Cnot%20%5Cpreceq%20x,%5C%20%5Cbeta%20%5Cnot%20%5Cpreceq%20x%7D" data-classname="equation" /> The formula is particularly useful for certain classes of posets such as partition posets which are examined in further detail. We apply the formula to prove that, for all partition posets of shape <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Bn,n%5D" data-classname="equation_inline" data-title="" />, the probability obeys <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?P((2,a)%20%5Cpreceq%20(1,a+1))%20=%20%5Cfrac%7B%20C_a%20C_%7Bn-a%7D%7D%20%7BC_n%7D" data-classname="equation" data-title="" /> where <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?C_n" data-classname="equation_inline" data-title="" /> is the nth Catalan number and <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?a%20%3C%20n" data-classname="equation_inline" data-title="" />. We also explore how Monte Carlo methods can be used to estimate <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?P(%5Calpha%20%5Cpreceq%20%5Cbeta)" data-classname="equation_inline" data-title="" />.

This dissertation intervenes in the fields of South Asian Masculinity Studies, Affect Studies, Critical Disability Studies, Feminist Cultural Studies, and Trauma as well as Memory Studies. The focus of this project is on the 1971 Bangladesh Liberation War, a nine-month long war between East Pakistan and West Pakistan, which started on 26 March 1971 and ended on 16 December 1971 with Bangladesh, former East Pakistan, emerging as an independent nation. I concentrate on East Pakistani/Bangladeshi muktijoddhas (freedom fighters) who fought in the war, and birangonas (survivors of sexual violence) who were abducted by military officials and their collaborators. Drawing on political speeches, parliamentary debates, press statements, and governmental news reports, I examine how these sources create a narrative of the manly muktijoddha who demonstrates his masculinity through exhibiting courage and disavowing his pain. I further analyze memoirs by freedom fighters who complicate this image of the courageous muktijoddha through recollecting moments of pain and fear during combat. Significant to my analysis are also survivor testimonies of gender, physical, and sexual violence of wartime women in East Pakistan/Bangladesh, which oppose a more singular nationalist rhetoric of the 1971 war that celebrates the male muktijoddha while marginalizing women’s experiences. I delve into how birangona testimonies narrate the women’s trauma of sexual violence and of witnessing their daughters’ abuse by wartime soldiers. In analyzing women’s stories, I highlight the importance of listening to the voices of birangona-mas (survivors who are also mothers), and thereby question the nationalist mythologizing of the muktijoddha’s mother who sends her son to war. In exploring the muktijoddha, the muktijoddha’s mother, and the birangona/birangona-ma, I argue that there are multiple alternative readings of the war that are suppressed by nationalist discourse, which warrant recognition within Liberation War and South Asian history. / Dissertation / Doctor of Philosophy (PhD) / My dissertation focuses on the Bangladesh Liberation War that took place between East Pakistan and West Pakistan from 26 March 1971 till 16 December 1971. This war led to the independence of Bangladesh, former East Pakistan. During the war, Bangladeshi governmental documents and nationalist speeches portrayed the East Pakistani/Bangladeshi freedom fighter or muktijoddha as an ideal masculine figure who fought against West Pakistani soldiers with courage. I analyze memoirs by freedom fighters who show how they both conform to, and disrupt the nationalist portrayal of the courageous muktijoddha. I also examine personal recollections of birangonas (women survivors of sexual violence) who speak of their trauma, reveal narratives of their daughter’s abuse by soldiers and their collaborators, and provide a reading of the wartime woman that challenges the nation’s vested interest in the ideal male muktijoddha. Overall, my project encourages people to rethink the Liberation War from the perspectives of wartime men and women survivors who have witnessed violence and mutilation firsthand.

Mass spectrometry has been used extensively in recent years as a valuable tool in the study of proteomics. However, the data thus produced exhibits hyper-dimensionality. Reducing the dimensionality of the data often requires the imposition of many assumptions which can be harmful to subsequent analysis. The IP algorithm is a dimension reduction algorithm, similar in purpose to latent variable analysis. It is based on the principle of maximum entropy and therefore imposes a minimum number of assumptions on the data. Partial Least Squares (PLS) is an algorithm commonly used with proteomics data from mass spectrometry in order to reduce the dimension of the data. The IP algorithm and a PLS algorithm were applied to proteomics data from mass spectrometry to reduce the dimension of the data. The data came from three groups of patients, those with no tumors, malignant or benign tumors. Reduced data sets were produced from the IP algorithm and the PLS algorithm. Logistic regression models were constructed using predictor variables extracted from these data sets. The response was threefold and indicated which tumor classifications each patient belonged. Misclassification rates were determined for the IP algorithm and the PLS algorithm. The rates correct classification associated with the IP algorithm were equal or better than those rates associated with the PLS algorithm.

[pt] O coeficiente de partição octanol-água do composto 1,2-dipalmitoilsn-glicero-3-fosfatidilcolina (DPPC) foi investigado utilizando os métodos de integração termodinâmica e amostragem guarda-chuva através de simulações de dinâmica molecular atomística. Os campos de força AMBER/GAFF e CHARMM/CGenFF foram usados com seis modelos de água (SPC, TIP3P, TIP4P, TIP5P, OPC3 e OPC4) amplamente utilizados em simulações de dinâmica molecular. Dentre os modelos utilizados, o modelo de água OPC4 com os dois campos de força em estudo forneceu a melhor concordância com o coeficiente de partição experimental octanol-água do DPPC. No entanto, ainda existe muito espaço para melhorias nos modelos de água que estimam a tensão superficial de forma apropriada. Usando o modelo de água OPC4, a energia livre de Gibbs de transferência do DPPC do octanol para a fase aquosa foi calculada em 19,8(mais ou menos)0,3 e 20,2(mais ou menos)0,3 kcal mol-1 , estimando um coeficiente de partição octanol-água de 14,5(mais ou menos)0,4 e 14,8(mais ou menos)0,3 para os campos de força AMBER/GAFF e CHARMM/CGenFF, respectivamente. A amostragem guarda-chuva apresentou problemas de arrastes de moléculas de uma fase para outra, gerando artefatos e consequentemente subestimando os valores de energia livre e de coeficiente de partição octanol-água. Este estudo mostra a importância do desenvolvimento de novos modelos de água que reproduzam com precisão todas as suas características experimentais. A conciliação entre medições experimentais e cálculos teóricos do coeficiente de partição de moléculas anfifílicas poderia ser resolvida através do ajuste dos parâmetros do modelo de água. Este estudo possui grande importância na simulação de propriedades moleculares de importância em muitas áreas de aplicações científicas e industriais, tais como biofísica, surfactante, coloides, membranas, medicina, nanotecnologia, e indústrias alimentícias e farmacêuticas. / [en] The octanol-water partition coefficient of the compost 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) molecule wasinvestigated using the methods of thermodynamic integration and umbrellasampling through atomistic molecular dynamics simulations. TheAMBER/GAFF and CHARMM/CGenFF force fields were used with sixwater models (SPC, TIP3P, TIP4P, TIP5P, OPC3, and OPC4) widely usedin molecular dynamics simulations. Among the models used, the OPC4water model with the two force fields provided the best agreement with theexperimental octanol-water partition coefficient of the DPPC. However,there is still much room for improvement in water models that correctlyestimate the surface tension. Using the OPC4 water model, the Gibbs freeenergy of transferring DPPC from octanol to the aqueous phase wascalculated to be 19.8(plus minus)0.3 and 20.2(plus minus)0.3 kcal mol-1, estimating an octanolwater partition coefficient of 14.5(plus minus)0.4 and 14.8(plus minus)0.3 for the AMBER/GAFFand CHARMM/CGenFF force fields, respectively. Umbrella samplingpresented issues of molecules being dragged between the two phases,generating artifacts, and consequently underestimating the values of freeenergy and octanol-water partition coefficient. This study shows theimportance of developing new models of water that accurately reproduceall its experimental characteristics. The reconciliation betweenexperimental measurements and theoretical calculations of partitioncoefficients of amphiphilic molecules. This study may have greatimportance in many areas of scientific and industrial applications, such asbiophysics, surfactant, colloids, membranes, medicine, nanotechnology,and food and pharmaceutical industries.

No description available.