dimensional integrated circuits (3D ICs) fabricated with through-silicon vias (TSVs) have smaller planar dimensions, shorter wire length, and better performance than 2D ICs. Heat dissipation causing temperature increase has posed new challenges for design of 3D integrated circuits (IC). In addition to the thermal problem, 3D ICs also require careful design of power grids/network because many inter-tier resistive through-silicon vias in 3D IC can cause larger voltage drop than 2D ICs. The performance optimization of a 3D stack requires validation of thermal and electrical integrity during the co-design. Many 3D stacks will combine digital and analog circuitry, requiring a strong mixed-signal design approach. This will require close collaboration between different domains of circuit fabrication which traditionally have been working separately. Hence there must be some standards to facilitate smooth and effective design of 3D ICs. In this thesis, we perform steady-state electrical and thermal simulations to analyze the properties of a 3D stack. We optimize electrical and thermal performance using genetic algorithm to achieve optimized power map profile for minimizing voltage drop and temperature, which can benefit both thermal and power integrity management. This thesis presents initial efforts in designing such standards. Steady state electrical and thermal simulations are performed to demonstrate the necessary information that needs to be exchanged between the dies to ensure adequate co-design. The main purpose of a Design Exchange Format (DEF) between dies is to permit sharing of information necessary for design by external parties without disclosing their intellectual property (IP). The requirements of the standards should be the minimum necessary to produce satisfactory answers. Producing such models is just a customer support function. The role of the standards is to facilitate the transfer of information through a compact model, not necessarily to build one.

Alkali-silica reaction (ASR) and delayed ettringite formation (DEF) are expansive reactions that can lead to the premature deterioration of concrete structures. Both have been implicated in the deterioration of numerous structures around the world, including many transportation structures in Texas. As a result of considerable research advances, ASR and DEF are now avoidable in new construction, but evaluating and managing the existing stock of structures damaged by these mechanisms remains a challenge. While the published guidance for evaluating structures is very effective at diagnosing the presence of ASR and DEF, there remain significant weaknesses with respect to the evaluation of structural safety and serviceability and nondestructive testing (NDT) is a minor component of the evaluation process. The research described in this dissertation involved a wide range of tests on plain and reinforced concrete at multiple scales. This included small cylinders and prisms, larger plain and reinforced concrete specimens in outdoor exposure, full-scale reinforced concrete beams, and core samples from the outdoor exposure specimens and full-scale reinforced concrete beams. Nondestructive test methods were applied at all scales, and the full-scale beams were also tested in four-point flexure to determine the effects of ASR and DEF on flexural strength and serviceability. Severe expansions from ASR and DEF did not reduce the strength of the full-scale beams or result in excessive deflections under live loads, despite significant decreases in the compressive strength and elastic modulus measured from core samples. Most NDT methods were found to be effective at low expansions but had difficulty correlating to larger expansions. Two promising NDT methods have been identified for future research and development, and guidance regarding existing test methods is offered. / text

Aujourd’hui, la durée d’exploitation de certaines structures en béton est amenée à être prolongée, en parallèle, des structures présentent prématurément des signes d’endommagements dû parfois à une mauvaise prise en compte des conditions environnementales. Assurer la durabilité des structures, c’est également assurer leur exploitation de façon sécuritaire, économique et écologique. Notre objectif est dans un premier temps de comprendre les phénomènes et mécanismes en jeu, ainsi que leur potentiels couplages ; puis, dans un deuxième temps, de créer des modèles prédictifs fiables de ces comportements.Le travail présenté s’intéresse en particulier aux structures nucléaires, qui en plus d’avoir un enjeu majeur, présentent des risques vis-à-vis de la dessiccation et de pathologies thermo-activées comme la réaction sulfatique interne (RSI). Plus précisément, l’objectif de cette thèse est de comprendre la participation des granulats dans les mécanismes de dégradation du matériau sous ces deux sollicitations respectives, puis leur couplage.A cet effet, une approche expérimentale multi-échelle est menée. Elle s’intéresse à l’évolution des déformations différées ainsi que des propriétés mécaniques et de transfert de matériaux cimentaires soumis soit à la dessiccation, soit à la RSI. Dans les deux cas, les paramètres influents des granulats dans les mécanismes ont été mis en évidence et une étude paramétrique a été mis en place afin de dégager clairement l’influence de ces paramètres.Dans un premier temps, l’étude de la dessiccation est basée sur le suivi et la caractérisation de sept formulations modèles ; i.e. dont les squelettes granulaires ont été contrôlés et sélectionnés selon la taille et la fraction volumique des granulats dans le matériau ; sur 200 jours. Les essais ont mis en évidence l’influence de ces paramètres dans le phénomène d’incompatibilités de déformations entre pâte de ciment et granulats. En parallèle, l’étude expérimentale de la réaction sulfatique interne s’intéresse à caractériser l’influence de la nature minéralogique des granulats sur la formation et la progression de la pathologie. Nous nous intéressons à l’influence de ce paramètre sur la cinétique et le taux de la réaction, mais également sur l’évolution des propriétés du matériau, afin d’identifier tous les mécanismes physico-chimiques présents. Enfin, une dernière étude s’intéresse au couplage entre RSI et dessiccation. Ici, les paramètres granulats ont été fixés, et des échantillons réactifs vis-à-vis de la RSI ont été soumis à des cycles de séchage-imbibition. / Today, the operating life of some concrete structures is likely to be extended, in parallel, structures show early signs of damage due sometimes to poor consideration of environmental conditions. Ensuring the sustainability of structures also means ensuring their safe, economical and ecological operation. Our objective is first to understand the phenomena and mechanisms at play, as well as their potential couplings; then, in a second step, to create reliable predictive models of these behaviours.The work presented is particularly interested in nuclear structures, which, in addition to having a major stake in our societies, present risks with regard to desiccation and thermo-activated pathologies such as the delayed ettringite formation (DEF). More precisely, the objective of this thesis is to understand the participation of aggregates in the degradation mechanisms of the material under these two respective stresses, and then their coupling.To this end, a multi-scale experimental approach is being conducted. It takes interest in the evolution of delayed deformations as well as the mechanical and transfer properties of cementitious materials subjected to either desiccation or DEF. In both cases, the influential parameters of the aggregates in the mechanisms were identified and a parametric study was carried out to clearly identify the influence of these parameters.First, the desiccation study is based on the monitoring and characterization of seven model formulations; i.e. granular skeletons were controlled and selected according to the size and volume fraction of the aggregates in the material; over 200 days. The tests revealed the influence of these parameters in the phenomenon of aggregate restraint.In parallel, the experimental study of DEF aims at characterizing the influence of the mineralogical nature of aggregates on the formation and progression of the pathology. We are interested in the influence of this parameter on the reaction kinetics and rate, but also on the evolution of the material properties, in order to identify all the physico-chemical mechanisms at stake. Finally, a final study is interested in the coupling between RSI and desiccation. Here, the aggregate parameters were set, and samples reactive to DEF were subjected to drying and soaking cycles.

Les réactions de gonflements internes (RGI) sont des pathologies qui dégradent le béton de certains ouvrages tels que des barrages en étant à l'origine de gonflements. Electricité De France (EDF) doit assurer la sûreté des personnes et des biens situés à l'aval de ses structures. Ce travail a pour but d'améliorer la modélisation des phénomènes physiques liés à ces dégradations notamment l'interaction entre le produit gonflant et le squelette solide. La contrainte intraporeuse générée par la pression du produit peut créer un endommagement. Dans le modèle proposé, la fissuration peut avoir lieu à deux échelles : - Au niveau microscopique c'est le produit gonflant qui comble le volume libre autour du site de réaction avant de mettre en traction le matériau jusqu'à fissuration, ce qui provoque une baisse des caractéristiques du matériau (résistances en traction et en compression, module d'Young). Un critère de plasticité anisotrope et une loi d'écrouissage positif sont proposés pour modéliser ce phénomène. - Au niveau macroscopique, des gradients de gonflements peuvent se développer à l'intérieur d'ouvrages dont les états de contraintes et les conditions d'humidité et de température ne sont pas homogènes. Une fissuration localisée peut alors s'initier. Elle est la source de risques de dislocations des structures pouvant mener à leur ruine, de concentrations de contraintes dans les aciers structuraux, de chemins facilités pour les agents agressifs extérieurs et pour l'eau, composé essentiel au développement rapide de ces pathologies. La prise en compte des couplages hydro-poro-mécaniques est nécessaire à la simulation de ces phénomènes. Cette fissuration est modélisée par un critère plastique de Rankine anisotrope dont l'énergie dissipée par la fissuration est régularisée par la méthode d'Hillerborg. Après avoir présenté ce modèle, il est validé et appliqué à différentes échelles pour des états de contraintes et des conditions environnementales diverses, sur : - des éprouvettes soumises à des contraintes et des blocages multi-axiaux, - des poutres de laboratoire plus ou moins armées subissant des gradients d'humidité importants, - des barrages dans des conditions réelles construits dans les années 1950. Les résultats obtenus avec le modèle permettent de retrouver les déplacements, les contraintes et les résistances de ces structures après vieillissement. Pour les poutres atteintes de réaction alcali-silice, les résultats numériques obtenus montrent notamment une prise en compte réaliste des contraintes induites par la présence d'armatures, ce qui est confirmé par la validation du comportement à rupture. Néanmoins, des difficultés de calage subsistent pour les poutres subissant la réaction sulfatique interne. Elles sont issues des grandes amplitudes d'expansion et des couplages diffusion-fissuration qui rendent spécifique le comportement de ces structures par rapport à des structures subissant des expansions moins importantes. Ce modèle est un outil pour la requalification des ouvrages dans le but d'assurer leur sûreté. Il peut également servir de base de calcul à la simulation de diverses réhabilitations et travaux de confortements. / Internal swelling reactions (ISR) damage the concrete of structures such as dams. Electricité De France (EDF) must ensure the safety of the people and goods located below the dam. This work aims to improve the modeling of the physical phenomena related to these damages, especially the interaction between the swelling product and the solid skeleton. The intraporous stress generated by the product pressure can create cracking, which, in the proposed model, can occur at two scales: - At a microscopic scale, the swelling product fills the gaps around the reaction site, which induces cracking and a decrease of the materials' characteristics (tensile and compression strengths, Young's modulus). Numerically, an anisotropic plastic criteria and a hardening law allow modelling this phenomenon. - At a macroscopic level, swelling gradients can develop inside concrete structures whose stress states and climatic conditions (humidity and temperature) are not homogeneous. A localized cracking can begin. It is a source of structure dislocation risks and stress concentrations in structural reinforcement. It may ease the way in for outside aggressive agents and water, an essential component for these reactions. Hydro-poro-mechanical couplings need to be taken into account when simulating these phenomena. The cracking is modelled by a Rankine plastic criterion whose dissipated energy is regularized by the Hillerborg's method. After presenting the model, several stress states and environmental conditions are applied to the model in order to validate it on: - samples under multi-axial stresses and restraints, - plain and reinforced beams submitted to moisture gradients in laboratory, - 1950s dams in real conditions. The results of the model make it possible to reproduce the displacements, the stresses and residual strength of these structures after aging. For the beams submitted to alkali aggregate reaction, the numerical results show a relevant prediction of the stress induced by reinforcement, confirmed by the failure behaviour. Nevertheless, the model encounters calibration difficulties for beams affected by delayed ettringite formation. They come from large swelling amplitude and diffusion-cracking coupling which are inherent to these structure behaviours. This model is a tool for concrete structure requalification in order to ensure their safety. It can also be a basis for diverse rehabilitations and reinforcement works simulation.

Ce travail de recherche a pour but d’étudier des matériaux cimentaires soumis à des attaques sulfatiques selon trois différentes conditions : attaques sulfatiques externes (ASE), formation différée d’ettringite communément appelée attaque sulfatique interne et l’effect couplé des deux réactions, ainsi que de proposer un mécanisme uniforme pour les dégradations causées par ces réactions. En se basant sur le mécanisme proposé, un model poro-mécanique est proposé pour simuler l’expansion induite par les produits expansifs néoformés pendant la dégradation. Cette étude inclut trois parties : dans la première partie, les dégradations des éprouvettes de pâte de ciment correspondant à deux types de ciments (CEM I et CEM III) et deux dimensions exposées à trois différents types d’attaques sulfatiques (ASE, ASI, et le couplage des deux réactions), sont étudiés et comparés : variations de longueur, de masse, ainsi que des observations visuelles. Les éprouvettes exposées au couplage ASE-ASI montrent la cinétique d’expansion la plus rapide et le degré de dégradation le plus important, comparé aux autres cas. Ensuite, la structure poreuse des pâtes de ciment avant et après les attaques sulfatiques est caractérisée en utilisant différentes techniques : porosimétrie à mercure (MIP), sorption dynamique de vapeur (DVS), porosité accessible à l’eau ou essais de dissolution par traitement thermique. En comparant les variations de la distribution de la taille des pores des pâtes de ciment exposées à différentes conditions, les cristaux néoformés se trouvent précipités à la fois dans les pores capillaires et les pores des C-S-H. En plus de l’évolution de la distribution de la taille des pores pendant l’ASI, un mécanisme de dégradation est proposé : les cristaux néoformés (l’ettringite) sont précipités dans les grands pores, sans provoquer une expansion manifeste, et ils sont ensuite précipités dans les pores capillaires et les pores des C-S-H, ce qui induit un gonflement. Par ailleurs, le volume des pores occupé par les produits de l’ASI sont libérés après des essais de dissolution par traitement thermique, ce qui confirme la formation de produits d’expansion dans cette gamme de pores. Enfin, en se basant sur les résultats expérimentaux montrant que l’ettringite se forme en allant des grands pores vers les plus petits, un model poro-mécanique est proposé pour simuler l’expansion des matériaux cimentaires soumis à des attaques sulfatiques. Le modèle est basé sur la croissance contrôlée en surface et les propriétés physicochimiques pour l’ASE et l’ASI, malgré les différences entre ces deux réactions. Deux constantes indépendantes : ai et ap sont proposées pour représenter la cinétique de l’invasion des cristaux et la déformation. De plus, le modèle peut être couplé avec toutes les théories mécaniques, par exemple : l’élasticité, la plasticité, la théorie de l’endommagement ou autres. Le modèle illustre bien le processus de cristallisation et il prédit l’expansion correspondante à la fois à l’ASE et l’ASI / This work aims to study cement-based materials subjected to sulfate attacks in three different conditions: External Sulfate Attack (ESA), Delayed Ettringite Formation (DEF) and the Coupling effect of both, and to propose the same damage mechanism for all of them. Based on the proposed mechanism, a poromechanical model is established to simulate the expansion induced by expansive crystals during the degradation. The study includes the following three parts. In the first part, the degradation of cement paste specimens with two kinds of cement type (CEM I and CEM III) and two dimensions (2 2 12 cm3 and 11 11 22 cm3) exposed to three sulfate attack conditions (ESA, DEF, and Coupling effect) are studied and compared, including the length variation, mass variations, and observations. The specimens exposed to the coupling effect show the fastest kinetics and the most serious degree of degradation compared to the other cases. Then, the pore structure of cement pastes before and after sulfate attacks is characterized via different techniques: MIP, DVS, water accessible tests and heat-based dissolution tests. By comparing the variation of pore size distribution of cement pastes exposed to different conditions, the generated crystals are found to be precipitated both in capillary and gel pores. In addition to the evolution of pore size distribution during DEF, a damage mechanism is proposed: the generated crystals (ettringite) precipitate in the big pores without inducing an obvious expansion, and then penetrate into capillary and gel pores, which leads to a swelling. Moreover, the pore volume occupied by DEF induced products is released after heat-based dissolutiontests, which further confirms the formation of expansive products in that porerange. Finally, based on the experimental conclusion that ettringite forms through the large to small pores in all cases, a poromechanical model is proposed to simulate the expansion of cement-based materials submitted to sulfate attacks. The model is based on the surface-controlled growth and physicochemical properties both for ESA and DEF, despite the different source of sulfate ions. Two independent constants, ai and ap, are proposed to represent the kinetics of crystal invasion and deformation. Moreover, the model could be coupled with any mechanical theories, e.g. elasticity, plasticity, damage theory or any other. The model well illustrates the crystallization process and well predicts the corresponding expansion both in ESA and DEF

Cantilevered reinforced concrete columns with a lap splice of the longitudinal reinforcement near the base can induce high moment demands on the splice region when lateral loads are present on the structure. Code design specifications typically require a conservative splice length to account for these high moment demands and their consequences of bond failure. The required splice length is calculated as a function of required development length, which is a function of the bond between the reinforcement and the surrounding concrete, and a factor depending on the section detailing. However, the effects of concrete deterioration due to alkali silica reaction (ASR) and/or delayed ettringite formation (DEF) may weaken the bond of the splice region enough to overcome the conservative splice length, potentially resulting in brittle failure of the column during lateral loading. This thesis presents the following results obtained from an experimental and analytical program. * Fabrication of large-scale specimens of typical column splice regions with concrete that is susceptible to ASR/DEF deterioration * Measurement of the large-scale specimen deterioration due to ASR/DEF accelerated deterioration * Analytical model of the column splice region based on flexure theory as a function of the development length of the reinforcement and a factor to account for deterioration of the bond due to ASR/DEF * Experimental behavior of two large-scale specimens that are not influenced by premature concrete deterioration due to ASR/DEF (control specimens). This experimental data is also used to calibrate the analytical model. The conclusions of the research are that the analytical model correlates well with the experimental behavior of the large-scale control specimens not influenced by ASR/DEF. The lap splice region behaved as expected and an over-strength in the splice region is evident. To account for ASR/DEF damage, the analytical model proposes a reduction factor to decrease the bond strength of the splice region to predict ultimate performance of the region with different levels of premature concrete deterioration.

Reinforced concrete bridge columns can deteriorate prematurely due to the alkali-silica reaction (ASR) and/or delayed ettringite formation (DEF), causing internal expansion and cracking on the surface of the concrete. The performance of the longitudinal reinforcement lap splice in deteriorated concrete columns is the focus in this research. This thesis presents the results from the deterioration of large-scale specimens constructed and placed in an environment susceptible to ASR/DEF deterioration, the experimental results from four-point and three-point structural load tests, and an analytical model based on bending theory characterizing the specimen behavior during the structural load tests. Fourteen large-scale specimens were constructed, placed in an environment to accelerate the ASR/DEF deterioration mechanisms, and instrumented both internally and externally to measure the internal concrete expansions, and surface expansions and crack widths. In addition, two control specimens were constructed and kept in a laboratory, preventing ASR/DEF deterioration. Post-tensioning was used to simulate axial load on a bridge column. Structural load tests were performed on eight specimens with no ASR/DEF damage to late stage ASR and minimal DEF damage. Comparing the specimen behaviors during the loading testing, it was found that the yield strength increased about 5-15%, and post-cracking stiffness up to first yielding of the deteriorated specimens was about 25-35% stiffer than the control specimens. The increased specimen strength and stiffness likely occurred from volumetric expansion due to ASR/DEF damage which engaged the reinforcement, further confining the concrete and causing a beneficial increase in the axial post-tensioning load. The analytical model matched the control specimens well and matched the non-control specimens when the axial load was increased.

In this thesis modelling and solution methods for portfolio optimisation are presented. The investigations reported in this thesis extend the Markowitz mean-variance model to the domain of quadratic mixed integer programming (QMIP) models which are 'NP-hard' discrete optimisation problems. In addition to the modelling extensions a number of challenging aspects of solution algorithms are considered. The relative performances of sparse simplex (SSX) as well as the interior point method (IPM) are studied in detail. In particular, the roles of 'warmstart' and dual simplex are highlighted as applied to the construction of the efficient frontier which requires processing a family of problems; that is, the portfolio planning model stated in a parametric form. The method of solving QMIP models using the branch and bound algorithm is first developed; this is followed up by heuristics which improve the performance of the (discrete) solution algorithm. Some properties of the efficient frontier with discrete constraints are considered and a method of computing the discrete efficient frontier (DEF) efficiently is proposed. The computational investigation considers the efficiency and effectiveness in respect of the scale up properties of the proposed algorithm. The extensions of the real world models and the proposed solution algorithms make contribution as new knowledge.

Covalent functionalization significantly enhances the utility of carbon nanomaterials for many applications. In this study, we investigated the functionalization of double nitrogen doped graphene by the addition of different alkyl and phenyl functional groups at N atoms in syn and anti-configurations. Density functional theory calculations at the B3LYP/def-SV(P) level were employed to understand the syn versus anti preference on functionalization. The bond lengths, bond angles, relative energies, deformation energies and HOMO-LUMO energy gaps, of the syn and anti-configurations of the functionalized 2N-doped graphenes, have been compared. Functionalization with two groups leads to considerable deformation of 2N-doped graphene, which is confirmed by the change in C–N bond lengths by attachment of the functional groups. The attachment of larger functional groups deforms 2N-doped graphene to a greater extent than smaller functional groups. The HOMO-LUMO energy gap values are the least for the alkyl functionalized products, indicating that these structures are kinetically less stable than the phenyl functionalized products.

Properly proportioned, placed and cured concrete can be durable under most conditions. However, deterioration of concrete does occur under certain environments. One of the problems that affect the durability of hardened concrete is delayed ettringite formation (DEF) which is an important problem encountered in precast concrete industry where high temperature curing is applied. Although there had been many researches on DEF, there are still many uncertainties about its chemistry and mechanism. In this study, the effects of partial cement replacement by different mineral admixtures (trass, blast furnace slag and fly ash), SO3/Al2O3 molar ratio and specific surface area of cement on DEF were investigated. For this purpose, 9 groups of control cements were prepared with 3 different specific surface areas and 3 different SO3/Al2O3 molar ratios. Different amounts of mineral admixtures were blended with the control cements. High temperature curing was applied to the cement pastes and the expansions of these pastes were measured periodically for 240 days. v The experimental results obtained were interpreted for a comparative analysis of the effects of the afore-mentioned parameters.