Concerns over the future availability of traditional SCM sources, such as fly ash, have left the concrete industry in need of alternative sources of SCMs. The research presented here has evaluated natural pozzolans such as pumice, perlite, vitric ash, zeolites, shale and calcined clay as alternative sources of SCMs. Unlike previous research that has only concentrated on empirically evaluating the performance of natural pozzolans in concrete, the research presented in this dissertation has measured both the performance of the pozzolans in cementitious mixtures as well as their physical and chemical characteristics, to draw meaningful relationships between pozzolan properties and performance. The physical and chemical characteristics of these natural SCMs were measured using techniques like particle size analysis, Brunauer–Emmett–Teller (BET) surface area, scanning electron microscope (SEM) imaging, x-ray fluorescence (XRF), x-ray diffraction (XRD), and thermal gravimetric analysis (TGA). The performance of the pozzolans as alternative SCMs was examined by looking at their effect on mortar strength and mixture workability, as well as by their ability to mitigate expansions from durability problems like alkali silica reaction (ASR) and sulfate attack. The performance of the pozzolans was related back to their physical and chemical characteristics to gain an understanding of the underlying mechanisms of cement and pozzolan interaction, and to draw insights as to why some pozzolans perform better than others in cementitious mixtures. Using this knowledge, some of the under-performing pozzolans were modified to see if changes in their properties could improve performance. Results of the research showed that other than the two coarse zeolites, the rest of the pozzolans tested could be used as Class F fly ash replacements in concrete, with the pumice, perlite, metakaolin and fine zeolite being the best performers in terms of mortar strength and durability. Although the pumice mortar had lower strengths than the control at early ages, results from the performance improvement studies showed that the reactivity of pumice could be enhanced by grinding the pozzolans to a finer particle size distribution. Zeolites were found to negatively affect mixture workability, but calcination of the zeolites helped to improve the workability of zeolite mixtures. / text

Metodologias recentes de planejamento dependem fortemente de imagens de tomografia computadorizada e a tendência é que os procedimentos de dosimetria interna na terapia usando medicina nuclear também sejam baseados em imagens, tais como, imagens de ressonância magnética (RM) e tomografia computadorizada (TC), que extraem informações anatômicas e histológicas, bem como, imagens funcionais ou mapas de atividades, provenientes de PET e SPECT. Estas informações, associadas a um software de transporte de radiação, são utilizadas para estimar a dose interna em pacientes submetidos a tratamento em medicina nuclear. Este trabalho visa a re-engenharia do SCMS, que é um software de interface entre o código MCNP e as imagens médicas, que carregam as informações do paciente em tratamento. Em outras palavras, as informações necessárias contidas nas imagens são interpretadas e apresentadas em um formato específico para o código MCNP, que executa a simulação do transporte de radiação. Portanto, o usuário não precisa compreender o complexo processo de introdução de parâmetros do MCNP, pois o SCMS é responsável por construir automaticamente dados anatômicos do paciente, bem como, os dados da fonte radioativa. O SCMS foi originalmente desenvolvido em Fortran-77 e neste trabalho, ele foi reescrito em uma linguagem orientada a objetos (JAVA). Novas funcionalidades e opções de dados também foram incorporadas ao software. Assim, o novo software tem uma série de melhorias, tais como interface gráfica intuitiva e um menu para a seleção do espectro de energia correspondente a um radioisótopo específico, armazenado em um banco de dados XML. A nova versão também trabalha com uma maior quantidade de materiais e o usuário pode especificar uma região de interesse na tomografia computadorizada para o cálculo da dose absorvida. / Recent treatment planning systems depend strongly on CT images and the tendency is that the internal dosimetry procedures in nuclear medicine therapy be also based on images, such as magnetic resonance imaging (MRI) and computed tomography (CT), to extract anatomical and histological information, as well as, functional imaging or activities map as PET and SPECT. This information associated with a radiation transport simulation software is used to estimate internal dose in patients undergoing treatment in nuclear medicine. This work aims to re-engineer the software SCMS, which is an interface software between the Monte Carlo code MCNP, and the medical images, that carry information from the patient in treatment. In other words, the necessary information contained in the images are interpreted and presented in a specific format to the Monte Carlo MCNP code to perform the simulation of radiation transport. Therefore, the user does not need to understand the complex process of inputting data on MCNP, as the SCMS is responsible for automatically constructing anatomical data from the patient, as well as the radioactive source data. The SCMS was originally developed in Fortran-77. In this work it was rewritten in an object-oriented language (JAVA). New features and data options have also been incorporated into the software. Thus, the new software has a number of improvements, such as intuitive GUI and a menu for the selection of the energy spectra correspondent to a specific radioisotope stored in a XML data bank. The new version also supports new materials and the user can specify an image region of interest for the calculation of absorbed dose.

Metodologias recentes de planejamento dependem fortemente de imagens de tomografia computadorizada e a tendência é que os procedimentos de dosimetria interna na terapia usando medicina nuclear também sejam baseados em imagens, tais como, imagens de ressonância magnética (RM) e tomografia computadorizada (TC), que extraem informações anatômicas e histológicas, bem como, imagens funcionais ou mapas de atividades, provenientes de PET e SPECT. Estas informações, associadas a um software de transporte de radiação, são utilizadas para estimar a dose interna em pacientes submetidos a tratamento em medicina nuclear. Este trabalho visa a re-engenharia do SCMS, que é um software de interface entre o código MCNP e as imagens médicas, que carregam as informações do paciente em tratamento. Em outras palavras, as informações necessárias contidas nas imagens são interpretadas e apresentadas em um formato específico para o código MCNP, que executa a simulação do transporte de radiação. Portanto, o usuário não precisa compreender o complexo processo de introdução de parâmetros do MCNP, pois o SCMS é responsável por construir automaticamente dados anatômicos do paciente, bem como, os dados da fonte radioativa. O SCMS foi originalmente desenvolvido em Fortran-77 e neste trabalho, ele foi reescrito em uma linguagem orientada a objetos (JAVA). Novas funcionalidades e opções de dados também foram incorporadas ao software. Assim, o novo software tem uma série de melhorias, tais como interface gráfica intuitiva e um menu para a seleção do espectro de energia correspondente a um radioisótopo específico, armazenado em um banco de dados XML. A nova versão também trabalha com uma maior quantidade de materiais e o usuário pode especificar uma região de interesse na tomografia computadorizada para o cálculo da dose absorvida. / Recent treatment planning systems depend strongly on CT images and the tendency is that the internal dosimetry procedures in nuclear medicine therapy be also based on images, such as magnetic resonance imaging (MRI) and computed tomography (CT), to extract anatomical and histological information, as well as, functional imaging or activities map as PET and SPECT. This information associated with a radiation transport simulation software is used to estimate internal dose in patients undergoing treatment in nuclear medicine. This work aims to re-engineer the software SCMS, which is an interface software between the Monte Carlo code MCNP, and the medical images, that carry information from the patient in treatment. In other words, the necessary information contained in the images are interpreted and presented in a specific format to the Monte Carlo MCNP code to perform the simulation of radiation transport. Therefore, the user does not need to understand the complex process of inputting data on MCNP, as the SCMS is responsible for automatically constructing anatomical data from the patient, as well as the radioactive source data. The SCMS was originally developed in Fortran-77. In this work it was rewritten in an object-oriented language (JAVA). New features and data options have also been incorporated into the software. Thus, the new software has a number of improvements, such as intuitive GUI and a menu for the selection of the energy spectra correspondent to a specific radioisotope stored in a XML data bank. The new version also supports new materials and the user can specify an image region of interest for the calculation of absorbed dose.

Master of Science / Department of Civil Engineering / Kyle Riding / The relationship between in-place concrete strength and permeability with concrete cylinder strength and permeability with time is of interest - especially when supplementary cementitious materials (SCMs) are used. A joint research project between The University of Kansas was undergone to quantify these relationships. The permeability of concrete is directly tied to its ability to mitigate certain failure mechanisms such as corrosion and sulfate attack. The three concrete mixtures being tested by Kansas State University (KSU) vary in cementitious content as follows: (1) 100% ordinary portland cement (OPC), (2) 25% Class F fly ash (F-ash) and 75% OPC, (3) 25% Class C fly ash (C-Ash) and 75% OPC. The mixtures were also placed in three different seasons to present differing curing environmental effects. The summer slabs were cast during July and August. The fall slabs were cast in October and November. The final set of slabs were cast in March and April. Three sets of concrete specimens (lab cured, field cured and in-situ core specimens) were tested at 28, 56, 90, 180, and 360 days for strength and permeability properties. The permeability performance tests being utilized are ASTM C1202 and ASTM C642. The results have shown very desirable permeability and strength data for the mixes using blended fly ash cements. The F-ash exhibited the best high early strength and low permeability data for the summer placement season and slower strength and permeability performance at cold weather. The C-ash performed the best overall for all seasons and had the least environmental effects. The OPC performed the worst in regards to permeability and did not reach as high long term strength.

Concrete structures have the largest surface area of all human made structures. Large surface area makes concrete capable to absorb CO2 from environment during its lifetime. It is estimated that concrete during its lifetime can absorb about 15-20% of CO2 which had produced in cement production. In Sweden the CO2 uptake by concrete construction is estimated to 300 000 tons annually. This study aims to investigate the influences of fly ash and ground granulated blast furnace slag on carbonation. Accelerated carbonation with 65% relative humidity and 10% CO2 concentration was utilized to simulate the carbonation in cement pastes and cement mortars. Series of experiments have accomplished by collaborating with RISE and university of Borås. In this study cement pastes crushed into three fractions in order to evaluate the impact of particle size and influence of blended cement in CO2 uptake. Lastly, carbonation depth of mortars after 14 days accelerated carbonation were analyzed. Experimental results show that the increasing CO2 uptake induced by adding mineral admixture such fly ash in cement pastes. In this study cement paste with 30% fly ash replacement and fraction lower than 2 mm exhibit the highest CO2 uptake compared to other cement paste in this study. Moreover, carbonation depth of cement mortar was also increased three times more in mortar with 30% fly ash compared with mortar with 100% Portland cement. Therefore, incorporation of mineral admixture in cement pastes can improve the CO2 uptake and moreover, CO2 uptake can be more efficient if more surface area be involved with CO2 by crushing cement paste into lower 2 mm. / Betongkonstruktioner har den största ytan av alla människor gjorda strukturer. Stor yta gör att betong kan absorbera CO2 från luften under betongens hela livstid. Det uppskattas att betong under sin livstid kan absorbera cirka 15–20 % av CO2 som hade producerats i cementproduktionen. I Sverige uppskattas CO2-upptaget till 300 000 ton per år. Denna studie syftar till att undersöka den optimala kombinationen som kan påverka karbonatisering. Accelererad karbonatisering med 65% relativ luftfuktighet och 10% CO2-koncentration utfördes för att kunna simulera upptaget av koldioxid i cementpastor och cementbruk. En rad experiment har genomförts tillsammans med RISE och Högskolan i Borås. I denna studie krossades cementpastor i tre olika fraktioner för att utvärdera effekten av kornstorlek och påverkan av cementpastasinnehål i upptaget av CO2. Slutligen analyserades karboneringsdjupen för cementbruk efter 14 dagar accelererad karbonatisering. De experimentella resultaten från accelererad karbonatisering visar att med ökad halt av flygaska kan CO2-upptaget ökas. Cementpastan med 30 % flygaska och fraktionen lägre än två mm uppvisar det högsta CO2-upptaget jämfört med andra cementpastor med grövre fraktioner i denna studie. Dessutom ökade karbonatiseringsdjupet i cementbruk med 30% flygaska cirka tre gånger mer jämfört med cementbruk med 100% Portlandcement. Utifrån dessa resultat kan det konstateras att inblandning av tillsattmaterial i cementpasta kan förbättra CO2-upptaget och dessutom kan CO2-upptaget sker effektivare om mer kontaktytor blir involverade med CO2 genom att krossa cementpastan i fraktionen 0–2 mm.

Face à la finitude des ressources de la terre et de sa capacité d’absorption de la pollution, le développement d’écobétons pour un futur industrialisé durable représente un défi majeur de la science du béton moderne. En raison de sa nature hétérogène complexe, les propriétés macroscopiques du béton dépendent fortement des constituants de sa microstructure (ex. silicates de calcium hydratés [C–S–H], Portlandite, inclusions anhydres, porosité, agrégats, etc.). De plus, la nécessité d’une exploitation rapide et optimale des matériaux cimentaires émergents dans les applications industrielles demande de nos jours une meilleure compréhension de leurs particularités chimico-mécaniques à l’échelle micrométrique. Cette thèse vise à développer une méthode de pointe de couplage de la nanoindentation et de la spectroscopie quantitative aux rayons X à dispersion d'énergie (NI-QEDS), puis à fournir une caractérisation chimico-mécanique originale des phases microstructurales présentes dans les matrices réelles de ciments mélangés. La combinaison d’analyses NI-QEDS statistiques et déterministes a ainsi permis d’élargir la compréhension des systèmes avec ciment Portland et ajouts cimentaires (ACs) conventionnels ou alternatifs. Plus spécifiquement, l’étude des C–(A)–S–H (C–S–H incluant l’aluminium ou non) dans différents systèmes à base de ciments mélangés a montré des compositions différentes pour cet hydrate (variations dans les taux de Ca, Si, Al, S et Mg), mais ses propriétés mécaniques n’ont pas été significativement affectées par l’incorporation des ACs dans des dosages typiques. Les résultats présentés ont aussi démontré le rôle important des autres phases imbriquées dans la matrice de C–(A)–S–H, soit les inclusions anhydres dures (ex. le clinker et les ACs) et les autres hydrates tels que la Portlandite et les hydrates riches en aluminium (ex. les carboaluminates) avec des propriétés mécaniques plus élevées que celles des C–(A)–S–H. La thèse est basée sur cinq articles couvrant : (1) une analyse NI-EDS de systèmes incorporant des volumes élevés de pouzzolanes naturelles; (2) le développement de la méthode NI-QEDS; des analyses statistiques NI-QEDS (3) de systèmes avec cendres volantes et laitier, et (4) d’un système combinant ciment, calcaire et argile calcinée; et (5) une exploration déterministe NI-QEDS de systèmes conventionnels et alternatifs incorporant la poudre de verre, le métakaolin, le laitier ou la cendre volante. Finalement, en plus d’avancer les derniers modèles et méthodes micromécaniques, l’outil développé a fourni une perception chimico-mécanique originale des phases microstructurales et de leur arrangement. Le dévoilement de la signature chimico-mécanique de ces pâtes de ciments mélangés particulièrement complexes offre un savoir unique pour l’ingénierie des bétons de demain. / Abstract : Facing the limitedness of the earth’s resources and pollution absorption capacity, the development of eco-concrete for a sustainable industrialized future is one of the major challenges of modern concrete science. Due to its complex heterogeneous nature, the macro-scale properties of concrete strongly depend on the microstructure constituents (e.g., calcium-silicate-hydrates [C–S–H], Portlandite, anhydrous inclusions, porosity, aggregates, etc.). Moreover, the need for rapid and optimal exploitation of emerging binding materials in industrial applications urges today a better understanding of their chemo-mechanical features at the micrometer scale. This thesis aims at developing a state-of-the-art method coupling NanoIndentation and Quantitative Energy-Dispersive Spectroscopy (NI-QEDS), and providing an original chemo-mechanical characterization of the microstructure phases in highly heterogeneous matrices of real blended-cement pastes. The combination of statistical and deterministic NI-QEDS analysis approaches opened new research horizons in the understanding of Portland-cement systems incorporating conventional and alternative supplementary cementitious materials (SCMs). More specifically, the investigations of C–(A)–S–H (C–S–H including aluminum or not) in different blended-cement systems showed variable compositions for this hydrate (i.e., Ca, Si, Al, S and Mg contents), but the mechanical properties were not significantly affected by the incorporation of SCMs in typical dosages. The presented results also showed the important role of the other phases embedded in the C–(A)–S–H matrix, i.e., hard anhydrous inclusions (e.g., clinker and SCMs) and other hydrates such as Portlandite and Al-rich hydrates (e.g., carboaluminates) with mechanical properties higher than those of the C–(A)–S–H. The thesis is based on five articles focusing on: (1) the NI-EDS investigation of high-volume natural pozzolan systems; (2) the development of the NI-QEDS method; the statistical NI-QEDS analyses of (3) fly ash and slag blended-cement systems and of (4) a limestone-calcined-clay system; and (5) the deterministic NI-QEDS exploration of alternative and conventional systems incorporating glass powder, metakaolin, slag or fly ash. Finally, the developed tool not only advanced the latest micromechanical methods and models, but also provided original chemo-mechanical insights on the microstructure phases and their arrangement. Unveiling the chemo-mechanical signature of these highly-complex blended cement pastes further provided unique knowledge for engineering concretes for tomorrow.

This thesis consists of six chapters. The first chapter gives an introduction to the field of low-dimensional magnetic and electronic systems and relevant numerical techniques. The recent developments in molecular magnets are highlighted. The numerical techniques are reviewed along with their advantages and disadvantages from the present perspective. Study of entanglement of a system can give a great insight into the system. At the last part of this chapter a general overview is given regarding entanglement, its measures and its significance in studying many-body systems. Chapter 2 deals with the technique that has been developed by us for the full symmetry adaptation of non-relativistic Hamiltonians. It is advantageous both computationally and physically/chemically to exploit both spin and spatial symmetries of a system. It has been a long-standing problem to target a state which has definite total spin and also belongs to a definite irreducible representation of a point group, particularly for non-Abelian point groups. A very general technique is discussed in this chapter which is a hybrid method based on valence-bond basis and the basis of the z-component of the total spin. This technique is not only applicable to a system with arbitrary site spins and belonging to any point group symmetry, it is also quite easy to implement computationally. To demonstrate the power of the method, it is applied to the molecular magnetic system, Cu6Fe8, with cubic symmetry. In chapter 3, the extension of the previous hybrid technique to electronic systems is discussed. The power of the method is illustrated by applying it to a model icosahedral half-filled electronic system. This model spans a huge Hilbert space (dimension 1,778,966) and is in the largest non-Abelian point group. All the eigenstates of the model are obtained using our technique. Chapter 4 deals with the thermodynamic properties of an important class of single-chain magnets (SCMs). This class of SCMs has alternate isotropic spin-1/2 units and anisotropic high spin units with the anisotropy axes being non-collinear. Here anisotropy is assumed to be large and negative, as a result, anisotropic units behave like canted spins at low temperatures; but even then simple Ising-type model does not capture the essential physics of the system due to quantum mechanical nature of the isotropic units. A transfer matrix (TM) method is developed to study statistical behavior of this class of SCMs. For the first time, it is also discussed in detail that how weak inter-chain interactions can be treated by a TM method. The finite size effect is also discussed which becomes important for low temperature dynamics. This technique is applied to a real helical chain magnet, which has been studied experimentally. In the fifth chapter a bipartite entanglement entropy of finite systems is studied using exact diagonalization techniques to examine how the entanglement changes in the presence of long-range interactions. The PariserParrPople model with long-range interactions is used for this purpose and corresponding results are com-pared with those for the Hubbard and Heisenberg models with short-range interactions. This study helps understand why the density matrix renormalization group (DMRG) technique is so successful even in the presence of long-range interactions in the PPP model. It is also investigated if the symmetry properties of a state vector have any significance in relation to its entanglement. Finally, an interesting observation is made on the entanglement profiles of different states, across the full energy spectrum, in comparison with the corresponding profile of the density of states. The entanglement can be localized between two noncomplementary parts of a many-body system by performing local measurements on the rest of the system. This localized entanglement (LE) depends on the chosen basis set of measurement (BSM). In this chapter six, an optimality condition for the LE is derived, which would be helpful in finding optimal values of the LE, besides, can also be of use in studying mixed states of a general bipartite system. A canonical way of localizing entanglement is further discussed, where the BSM is not chosen arbitrarily, rather, is fully determined by the properties of a system. The LE obtained in this way, called the localized entanglement by canonical measurement (LECM), is not only easy to calculate practically, it provides a nice way to define the entanglement length. For spin-1/2 systems, the LECM is shown to be optimal in some important cases. At the end of this chapter, some numerical results are presented for j1 −j2 spin model to demonstrate how the LECM behaves.

<p>  </p> <p>Concrete is the second most consumed material in the world after water and is an essential element of constructed infrastructure. Over 14 billion m3 of concrete are being produced annually, resulting in a serious impact on the environment. The production of cement, which is the main component of concrete, is responsible for 5 – 8 % of global CO2 emissions. As a result, several global initiatives have been undertaken to achieve carbon neutrality by 2050. This carbon neutrality target coincides with the Paris Agreement's goal to limit global warming to 1.5 °C. A well-known, and successful strategy to reduce CO2 emissions in the concrete industry is to use supplementary cementitious materials (SCMs) as a partial replacement for cement. However, it is projected that in 2030 the demand for two of the most commonly used SCMs, fly ash and slag cement, will exceed their supply. Using nontraditional and natural pozzolans (NNPs) can help to close this supply gap, but there is a lack of knowledge regarding the reactivity and long-term performance of these materials.</p> <p>The purpose of this research was to perform experiments on several NNPs, some of which can be supplied in commercially viable quantities with the objective of evaluating their performance in cementitious systems (mortars and concretes) with the goal of accurately assessing their potential for use as alternative SCMs. The mortar study was performed using a total of 11 different NNPs, belonging to 4 distinctive groups and distributed as follows: 3 from the group of calcined clays (CCs) - CC1, CC2, and CC3, 3 from the group of natural pozzolans (NPs) - NP1, NP2 and NP3, 2 from the group of fluidized bed combustion (FBCs) ashes - FBC1 and FBC2, and 3 from the group of bottom ashes (GBAs) - GBA1, GBA2, and GBA3.</p> <p>The concrete study was performed on 4 different materials, one from each of the previously mentioned groups. The materials selected for concrete study were the worst-performing members of each group, as determined by the analysis of the test results obtained from mortars. These included CC2, NP3, FBC1, and GBA3 materials. This approach was adopted under the assumption that achieving adequate concrete characteristics with lowest-quality materials will all but assure satisfactory performance of concretes with higher-quality materials. </p> <p>The findings generated from this research indicate that several of the NNPs used in this study present a viable alternative to traditional SCMs. As an example, out of the 11 NNPS, 9 were found to conform to the requirements of the ASTM C618-19, the standard specification currently used to assess the suitability of coal fly ash and raw or calcined natural pozzolans for use in concrete. Results obtained from tests performed on mortars demonstrated that, when used at the replacement level of 25%, all 11 NNPs produced mixtures with characteristics similar to those obtained from the plain cement (OPC) mortar. For that reason, this level of replacement was selected to prepare concrete specimens. The results collected from concrete specimens showed that, when compared to plain concrete, mixtures with all 4 NNPs attained comparable (or improved) mechanical (compressive and flexural strength), durability (freeze-thaw resistance), and transport (formation factor and rate of water absorption) properties. As in the case of traditional SCMs, the mixtures with NNPs were found to require extended curing times to fully realize their property-enhancing potential associated with pozzolanic reactions. Overall, the best performing materials were those from the CCs group, followed by those belonging to, respectively, NPs, GBAs, and FBCs groups. </p>