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[pt] A demanda energética mundial está em constante crescimento e tal cenário faz aumentar a preocupação com os impactos ambientais, muitos deles decorrentes da exploração de combustíveis fósseis e sua utilização desmedida. Neste contexto, o estudo da pirólise da biomassa apresenta uma alternativa para a produção direta de calor que pode vir a ser utilizado em usinas termoelétricas sustentáveis. Uma investigação foi realizada abordando o tema da reciclagem de madeira sobre a possibilidade de aproveitá-la a biomassa principal deste processo. Este trabalho apresenta a caracterização da madeira reciclada bem como da madeira de eucalipto para poder averiguar a similaridade química entre as duas biomassas. Para tanto foram realizadas análises de espectroscopia de infravermelhos (FTIR) e difração de raios-X (DRX), além de análises de microscopia eletrônica de varredura com espectroscopia por dispersão de energia (MEV/EDS). Com o auxílio da técnica de termogravimetria (TG) foram realizados experimentos de pirólise lenta da madeira reciclada, a partir dos quais foram identificados eventos térmicos, caracterizados por perdas de massa. Para verificar um possível efeito oxidante dos óxidos Fe2CoO4 e Co3O4, realizou-se também pirólise lenta da mistura da madeira reciclada com cada um dos óxidos, tendo sido identificados eventos térmicos que não estavam presentes nos experimentos com a madeira pura. Os principais eventos foram avaliados cineticamente por métodos model-free que permitem a determinação da energia de ativação sem a necessidade de assumir uma ordem de reação. Foram utilizados os métodos de Kissinger (KS) e Kissinger-Akahira-Sunose (KAS), empregando os dados de experimentos realizados no TG com cinco taxas de aquecimento diferentes até 1100 graus Celsius. Para o evento térmico de maior importância, entre 200 e 390 graus Celsius tanto na madeira pura quanto na mistura, o ajuste de ambos o métodos foi satisfatório e está de acordo com a literatura. / [en] World s energy demand is constantly growing, and this scenario raises the concern about environmental impacts, many of them resulting from the constant manipulation of fossil fuels and their excessive use. In this context, the study of biomass pyrolysis presents an alternative for the direct production of heat that can be used in sustainable thermoeletric plants. To this end, a research has been carried out on the possibility of taking advantage of recycled wood as the main biomass of this process, an investigation that has been carried out along with a company in the field of wood recycling. This work presents the characterization of a recylced and a typical Brazilian eucalyptus wood with the purpose of proving their chemical similarity. Therefore, analysis of Scanning Electron Microscopy with Energy Dispersive Spectroscopy (SEM/EDS), X-ray diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR) was performed. Thermogravimetric (TG) experiments were carried out with slow pyrolysis of recycled wood and eucalyptus wood, from wich were identified thermal events, characterized by mass losses. To verify a possible oxidative effect of the compounds Fe2CoO4 and Co3O4, slow pyrolysis of a mixture of the recycled wood with each of the oxides was also performed, and thermal events that were not present in the experiments with the pure wood were identified. The main thermal events were kinetic investigated with model-free methods wich allows the determination of the activation energy without the need of a reaction order pre-stipulated. In this workk were tested the Kissinger (KS) and Kissinger-Akahira-Sunose (KAS) model-free methods and the TG data of five different heating rate were collected until 1100 Celsius degrees. For the most relevant thermal event, wich occurs from 200 to 390 Celsius degrees (for recycled wood and its mixture with the oxides) the adjustment of both methods was fine and accordance with literature.

Permanent magnet synchronous machines (PMSM are considered as viable options for automotive and traction applications. Rare earth magnets such as Neodymium Iron Boron (NdFeB is the most common choice in the PMSM for electric vehicles to achieve high power density machines. However, rare earth magnets are problematic from ethical and sustainability perspectives. From these perspectives, there are better magnet alternatives, such as ferrites. Ferrite magnets are well known for lower environmental impact, abundance and low cost. Due to a lower residual flux density of a ferrite magnet than that of a rare earth magnet, a larger amount of ferrite magnets are needed to achieve the same performance. This master thesis is aimed to compare a PMSM using NdFeB magnets with a PMSM using ferrite magnets in terms of different parameters such as torque production, power factor, drive cycle efficiency, losses mapping, cost, and environmental impact. The machines are designed based on the Volvo XC40 vehicle requirements. In order to compare both the machines, ferrite based machine with different types of rotor structures such as arc and spoke type configurations are designed in Ansys Maxwell and compared with the reference PMSM holding NdFeB magnet. The demagnetisation study was performed on the ferrite magnets at lower temperature in order to investigate the feasibility of the design. In order to reduce the risk of demagnetisation, a parametric analysis of the rotor structure has been conducted. Furthermore, the mechanical integrity was investigated at top speed. / Permanent magnet-synkronmaskiner (PMSM) betraktas som lönsamma alternativ för fordons och dragapplikationer. Sällsynta jordartsmagneter som Neodymiumbor (NdFeB) är det vanligaste valet i PMSM för elfordon att uppnå maskiner med hög effektdensitet. Sällsynta jordartsmagneter är emellertid problematiska ur etiska perspektiv och hållbarhetsperspektiv. Ur dessa perspektiv finns det bättre magnetalternativ, såsom ferriter. Ferrit är välkänt för lägre miljöpåverkan, överflöd och låga kostnader. På grund av låg restflödestäthet hos en ferritmagnet än en sällsynt jordartsmagnet behövs en större mängd ferritmagneter för att uppnå samma prestanda. Detta examensarbete syftar till att jämföra en PMSM med hjälp av NdFeB-magneter med en PMSM som använder ferritmagneter i termer av olika prestandaparametrar såsom vridmomentproduktion, effektfaktor, drivcykeleffektivitet, kartläggning av förluster, kostnad och miljöpåverkan. Maskinerna är designade baserat på Volvo XC40 fordons krav. För att jämföra båda maskinerna utformas ferritbaserad maskin med olika typer av rotorstruktur, såsom båg- och ekertypskonfiguration i Ansys Maxwell och jämförs med referensen PMSM som håller NdFeB-magneten. Demagnetiseringsstudien utfördes på ferritmagneterna vid lägre temperatur för att undersöka designens genomförbarhet. För att minska risken för demagnetisering har den parametriska analysen av rotorstrukturen genomförts. Dessutom undersöktes mekanisk integritet i toppfart.

<p>Molecular dynamics (MD) simulations performed on two-phase simulation cells were used to compute the Austenite (FCC) / Ferrite (BCC) boundary mobility in pure iron (Fe) over the temperature range of 600K - 1400K. An embedded atom method interatomic potential was used to model Fe and the driving force for interface motion is the free energy difference between the two phases, which was computed as a function of temperature using a thermodynamic integration technique. For low index FCC/BCC crystallographic orientations, no interface motion was observed. But for slight misorientations steps were introduced at the interphase and sufficient mobility was observed over MD time scales. A new interphase mechanism was found that instead of the moving of structure disconnection by diffusion control, growing of misfit dislocations in each steps were observed (interphase control). The interphase velocity could reach 2 m/s and the mobility at 1000K was approximately 0.001 mol-m/J-s. In agreement with previous MD studies of grain boundary mobility, we found that the activation energy for the austenite-ferrite boundary mobility was much lower than the values found from previous experiments.</p> / Master of Applied Science (MASc)

<p>A self‐consistent model for non‐partitioning planar ferrite growth from alloyed austenite is developed. The model captures the evolution with time of interfacial contact conditions for substitutional and interstitial solutes. Substitutional element solute drag is evaluated in terms of the dissipation of free energy within the interface, and an estimate is provided for the rate of buildup of the alloying element ‘‘spike’’ in austenite. The transport of the alloying elements within the interface region is modeled using a discrete‐jump model, while the bulk diffusion of C is treated using a standard continuum treatment.</p> <p>The model is validated against ferrite precipitation and decarburization kinetics in the Fe‐Ni‐C, Fe‐Mn‐C, Fe‐Mo‐C, Fe‐Si‐C, Fe‐Cr‐C and Fe‐Cu‐C systems.</p> / Doctor of Philosophy (PhD)

[pt] Devido a grande poluição do meio ambiente, diferentes estratégias devem ser tomadas para remediação ambiental. Dentre as diversas estratégias, é possível citar adsorção de cátions metálicos de soluções aquosas, adsorção de fármacos, utilização e armazanamento de energia verde. Dito isso, o presente estudo relata a utilização das estratégias mencionadas. Portanto, foi utilizada nanofibras de celulose oxidada via TEMPO (2,2,6,6-tetrametil-piperidinil-N-oxil), TCNF, para a remoção de cátions de ferro, zinco e cobalto. Sua capacidade adsortiva para a remoção de ferro e zinco puros apresentou valores de 5902 e 5633 Miligrama por grama−1 , respectivamente. Quando ferro e zinco removidos de uma mesma solução, a capacidade adsortiva de TCNF foi de 5852 e 5622 Miligrama por grama−1 . Para a adsorção de cobalto, sua concentração reduziu de 50 grama por litro−1 para 8,3 grama por litro−1 . Posteriormente, as amostras de TCNF impregnadas com metais foram levadas para calcinação, com objetivo de produção de óxidos nanoestruturados. Em temperaturas a partir de 300 graus C, fases de hematita são identificadas e a partir de 400 graus C fases de zincita e franklinita são identificadas por ajustes de Rietveld nos difratogramas obtidos. Adicionalmente, quando calcinadas em atmosfera inerte, é possível observar o surgimento de óxidos. Além disso, todas as morfologias foram analisadas via MET e MEV, e podem ser comparadas a um nanocoral com espessuras entre 20 e 30 nm. Então, as amotras de ferrita de zinco foram aplicadas em adsorção de tetraciclina, com capacidade adsortiva de 18 miligrama por grama−1 e também como capacitor, atingindo um valor de capacitância de 2031 Farad por grama−1 . A amostra contendo ferrita de cobalto foi utilizada como catalisador para extração de H2 de borohidreto e a quantidade de gás hidrogênio extraída girou em torno de 476,4 Litros de hidrogênio produzido por grama de borohidreto de sódio por grama de catalisador. A energia de ativação para a reação foi calculada em torno de 57 Quilojoules por mol−1 . Portanto, a inovadora rota de síntese de óxidos nanoetruturados aparenta ser promissora. / [en] Due to significant environmental pollution, different strategies require to be implemented for environmental remediation. Among the different approaches, it is possible to cite the adsorption of metallic cations from aqueous solutions, adsorption of pharmaceuticals, and the use and storage of green energy. With this in mind, the present study reports the use of the mentioned strategies. Thus, oxidized cellulose nanofibers, produced via TEMPO (2,2,6,6-tetramethyl-piperidinyl-N-oxyl), TCNF, were used for the removal of iron, zinc, and cobalt cations from aqueous solution. Their adsorptive capacity for the removal of pure iron and zinc was 5902 and 5633 Milligram per gram−1 , respectively. When iron and zinc were removed from the same solution, the adsorptive capacity of TCNF was 5852 and 5622 Milligram per gram−1 , respectively. For cobalt adsorption, its concentration decreased from 50 gram per liter−1 to 8.3 gram per liter−1 . Subsequently, the TCNF samples impregnated with metals were subjected to calcination to produce nanostructured oxides. At temperatures above 300 C degrees, hematite phases were identified, and at 400 C degrees, zincite and franklinite phases were identified through Rietveld refinements of the obtained diffractograms. Additionally, when calcined in an inert atmosphere, the appearance of oxides was observed. Moreover, all morphologies were analyzed via TEM and SEM, resembling a nanocoral with thicknesses between 20 and 30 nm. The zinc ferrite samples were applied to tetracycline adsorption with an adsorptive capacity of 18 miligram per gram−1 and also as a capacitor, achieving a capacitance value of 2031 Farad per gram−1 . The cobalt ferrite sample was used as a catalyst for hydrogen extraction from borohydride, and the amount of extracted H2 was around 476.4 liters of hydrogen produced per gram of sodium borohydride per gram of catalyst. The activation energy for the reaction was calculated to be approximately 57 Kilojoules per mole−1 . Therefore, the innovative route for the synthesis of nanostructured oxides appears to be promising.

L’industrie automobile cherche constamment à augmenter la part des pièces fabriquées à partir de tôles minces en aciers plus résistants et à plus bas coût. Le parallèle entre les diagrammes de phases Fe-N et Fe-C montre qu’il est possible de développer des aciers similaires dans le système Fe-N. Les objectifs de cette étude étaient l’élaboration des aciers binaires Fe-N et le développement des structures équivalentes à celles dans les aciers au carbone. Les approches envisagées s’articulent autour de : Elaboration : la nitruration gazeuse en phase austénitique suivie de traitements d’homogénéisation ont permis de charger des tôles minces de fer pur en concentrations importantes d’azote. Une simulation de la diffusion de l’azote a été proposée. Genèse des microstructures : Le refroidissement lent de l’austénite Fe-N conduit à des structures perlitiques lamellaires et globulaires, constituées de ferrite et du nitrure non-stoechiométrique Fe4N. Une structure aciculaire particulière a été identifiée. Il s’agit de la ferrite se développant dans le nitrure Fe4N. Le refroidissement lent de la ferrite Fe-N sursaturée conduit à la précipitation des nitrures stables Fe4N et métastable Fe16N2. Des microstructures multiphasées [alpha+alpha'+gamma] ont été obtenues par des maintiens dans le domaine intercritique suivis de trempe. Le domaine intercritique a été réexaminé en utilisant le modèle des sous-réseaux. Des essais in-situ en MET ont relevé l’évolution des précipités de Fe16N2 dans la ferrite au cours du vieillissement à 85 °C. Des proportions importantes de l’austénite résiduelle ont été relevées, ce qui serait à la base du développement des aciers TRIP à l’azote / Car designers are seeking ways to increase the proportion of parts made of sheet steels of higher strength and lower cost. The parallel between the Fe-N and Fe-C phase diagrams shows that it is possible to develop similar steels in the Fe-N system. The objective of this study was to prepare binary Fe-N steels and to develop structures equivalent to those in carbon steels. Approaches to meet the objectives are considered: Preparations of Fe-N steels: gas nitriding in austenite domain followed by homogenization treatments allowed to introduce high amount of nitrogen in pure iron sheet. A simulation of the nitrogen diffusion was proposed to describe the weight increase during nitriding. Genesis of microstructures: The slow cooling of the Fe-N austenite led to lamellar and globular pearlitic structures composed of ferrite and nitrideFe4N. An acicular microstructure, which is the consequence of the precipitation of the ferrite in the nitride Fe4N, was also identified. The slow cooling of the supersaturated Fe-N ferrite led to the precipitation of the stable nitride Fe4N and the metastable nitride Fe16N2, which witnessed a rapid diffusion of nitrogen in ferrite at low temperature, comparable to that of carbon. The multiphase microstructures [alpha+alpha'+gamma] were obtained by intercritical treatments followed by quenching. The intercritical domain was reviewed using the sub-lattice model. In-situ TEM investigations have identified the precipitation of Fe16N2 nitride in the ferrite during the aging at 85 °C. High amount of the residual austenite have been identified, which would be the basis for development of TRIP nitrogen steels

Les récentes découvertes sur les phénomènes hyperfréquences et nonlinéaires dans les structures minces ferromagnétiques actives planaires ont fait émerger un grand nombre de nouvelles études et applications pratiques prometteuses. La conversion de l'énergie magnétoélastique peut être beaucoup plus efficace à proximité de la transition de réorientation de spin (TRS). Les structures minces ferromagnétiques actives planaires fournissent un grand nombre de caractéristiques haute fréquence uniques : par exemple, les conditions pour l’effet Doppler anomal peuvent être satisfaites. Les cristaux magnoniques représentent également un domaine prometteur pour les futures investigations.Dans le présent travail nous avons établi la description théorique de la propagation des ondes hyperfréquences et non-linéaires dans les structures minces ferromagnétiques actives planaires de compositions différentes. Il a été démontré expérimentalement et théoriquement que les vibrations basse fréquence d’un cantilever peuvent être amplifiées quand la résonance ferromagnétique est excitée par un champ électromagnétique HF à proximité de la TRS. En outre, l'effet de la démodulation magnétoélastique peut être complété par un effet magnétoélectrique nonlinéaire. La possibilité de l'apparition de l'effet Doppler anomal lors de la propagation d'une onde de surface magnétostatique dans une structure ferrite-diélectrique-métal, dans une certaine plage de paramètres du système, est démontrée. La dispersion d'une onde magnétostatique de surface se propageant dans un film dont l'épaisseur varie linéairement, et possédant une structure périodique sous la forme de bandes parallèles gravées, a été calculée / Recently discovered investigations on the high frequency and nonlinear phenomena in thin active ferromagnetic planar structures showed a great number of new studies and promising practical applications. The magnetoelastic energy conversion can be much more efficient in the vicinity of spin reorientation transition (SRT). The thin active ferromagnetic planar structures provide a lot of unique high frequency features: for instance, the anomalous Doppler effect conditions can be satisfied. The magnon crystals are also an actual area for the further investigation of the domain.In the present work we derived the theoretical description for the high frequency and non-linear waves propagation in thin planar ferromagnetic structures with different compositions. It was demonstrated experimentally and theoretically that LF vibrations of the cantilever can be amplified when FMR is excited by HF electromagnetic field near SRT. Moreover the magnetoelastic demodulation effect can be supplemented with nonlinear magnetoelectric effect. The possibility of the occurrence of the anomalous Doppler effect during propagation of an MSSW in an FDM structure in a certain range of system parameters is substantiated. The dispersion of a surface magnetostatic wave propagating in a film, whose thickness varies linearly, with a periodic structure in the form of parallel etched strips was calculated. As it was clearly demonstrated these works are of great interest for the new studies and practical applications

Ce travail vise à améliorer la compréhension de la microstructure d’aciers ferritiques appelés aciers ODS. Ils sont fabriqués par métallurgie des poudres, ce qui inclut le cobroyage d’une poudre ferritique avec une fine poudre d’oxydes, suivi d'une consolidation à haute température. La consolidation permet de former un matériau dense renforcé par des particules nanométriques qui sont responsables des bonnes propriétés mécaniques à haute température. Cependant, les procédés conventionnels, notamment la Compaction Isostatique à Chaud, provoquent des microstructures hétérogènes qui étaient jusqu’à ce jour mal comprises. Ainsi, la technique rapide de consolidation assistée par courant électrique appelée "Spark Plasma Sintering" (SPS), a été testée afin d’étudier la microstructure. Pour la première fois, on montre que d’excellentes propriétés mécaniques peuvent être obtenues par SPS, comparables à celles des matériaux ODS obtenus classiquement par Compaction Isostatique à Chaud, mais avec un temps de procédé largement réduit. Cependant, la consolidation par SPS échoue quand il s’agit d’obtenir une micro-structure ferritique homogène. En effet, malgré la cinétique rapide de consolidation, on obtient des grains dits ultrafins (D < 500 nm) entourée de grains plus grossiers (D >10 μm). Une caractérisation microstructurale poussée a permis de comprendre l’évolution du matériau durant la consolidation. Un modèle d’évolution microstructurale a été proposé. Le calcul des pressions gouvernant la mobilité des interfaces souligne l’importance de la déformation plastique hétérogène issue du cobroyage des poudres. Par ailleurs, il est montré que la précipitation des particules d’oxydes ancre les joints de grains et stabilise la microstructure hétérogène, même à très haute température. On montre aussi qu’augmenter la teneur en renforts n’empêche pas la croissance anormale mais permet de contrôler la fraction et la taille de grains ultrafins, et donc les propriétés mécaniques des ODS. Parce que les particules jouent un rôle primordial dans la croissance des grains, une caractérisation fine de l’état de précipitation a été réalisée sur les matériaux consolidés par SPS. L’étude par Microscopie Electronique en Transmission, Diffusion des Neutrons et Sonde Atomique révèle une grande densité d’oxydes qui varient en taille et en composition chimique. Un modèle thermodynamique de type germination/croissance/coalescence a été développé pour simuler les cinétiques de précipitation des phases Y2O3 et Y2Ti2O7 durant les étapes de consolidation non isothermes. Tant les résultats expérimentaux que numériques démontrent la précipitation rapide des nano-particules qui sont ensuite extrêmement stables durant les recuits. Ce modèle permet de mieux comprendre la spécificité des microstructures et de la précipitation dans les ODS, de la formation rapide de particules nanométriques à la précipitation grossière d’oxydes de titane aux interfaces. / This work aims to lighten the understanding of the behavior of a class of metallic materials called Oxide-Dispersion Strengthened (ODS) ferritic steels. ODS steels are produced by powder metallurgy with various steps including atomization, mechanical alloying and high-temperature consolidation. The consolidation involves the formation of nanoparticles in the steel and various evolutions of the microstructure of the material that are not fully understood. In this thesis, a novel consolidation technique assisted by electric field called "Spark Plasma Sintering" (SPS) or "Field-Assisted Sintering Technique" (FAST) was assessed. Excellent mechanical properties were obtained by SPS, comparable to those of conventional hot isostatic pressed (HIP) materials but with much shorter processing time. Also, a broad range of microstructures and thus of tensile strength and ductility were obtained by performing SPS on either milled or atomized powder at different temperatures. However, SPS consolidation failed to avoid heterogeneous microstructure composed of ultrafine-grained regions surrounded by micronic grains despite of the rapid consolidation kinetics. A multiscale characterization allowed to understand and model the evolution of this complex microstructure. An analytical evaluation of the contributing mechanisms can explain the appearance of the complex grain structure and its thermal stability during further heat treatments. Inhomogeneous distribution of plastic deformation in the powder is argued to be the major cause of heterogeneous recrystallization and further grain growth during hot consolidation. Even if increasing the solute content of yttrium, titanium and oxygen does not impede abnormal growth, it permits to control the fraction and the size of the retained ultrafine grains, which is a key-factor to tailor the mechanical properties. Since precipitation through grain boundary pinning plays a significant role on grain growth, a careful characterization of the precipitation state was performed on consolidated ODS steels. The experimental data obtained by transmission electron microscopy, small angle neutron scattering and atom-probe tomography evidenced the presence of dense and nanosized particles in SPS ODS steels, similarly to what is observed in conventional ODS steels. This is of great importance since it proves that the precipitation is very rapid and mainly occurs during the heating stage of the consolidation process. Using a thermodynamic model, the precipitation kinetics of Y2O3 and Y2Ti2O7 were successfully reproduced at various consolidation temperatures. Both experimental and numerical findings agree with the rapid precipitation of nanoparticles that are then extremely stable, even at high temperature. Consequently, this model can be an efficient tool to design ODS steelsby the optimization of the precipitation state.

Ces travaux de thèse s’inscrivent au sein d’une démarche multi-échelles visant à améliorer lacompréhension de la fragilisation par l’irradiation de l’acier de cuve. Dans ce cadre, nous nousintéressons à la description de la mobilité des dislocations dans la ferrite, l’une des entrées clépour les codes de dynamique de dislocations (DD). Nous présentons ainsi une revuebibliographique exhaustive des différentes théories et expressions de la mobilité, à partir delaquelle nous proposons une nouvelle expression pour les dislocations vis. Cette loi, utilisablepour la première fois dans le régime de transition ductile-fragile, permet de reproduire lesprincipales observations expérimentales disponibles à ce niveau. Finalement, nous montronsles améliorations apportées au code de DD Tridis BCC 2.0, qui intègrent la nouvelle loi demobilité avec une nouvelle gestion des segments de dislocation permettant de stabiliser etaccélérer des simulations complexes avec prise en compte du glissement dévié. / The present work is part of a larger multi-scale effort aiming to increase knowledge of thephysical phenomena underneath reactor pressure vessel irradiation embrittlement. Withinthis framework, we focused on the description of dislocation mobility in BCC iron, which is oneof the key inputs to dislocation dynamics (DD) simulation codes. An extensive bibliographicreview shows that none of the available expressions can deal with the ductile-fragile transitiondomain of interest. Here, a new screw mobility law able to reproduce the main experimentalobservations is introduced building on the previous models. The aforementioned law is usedtogether with an improved dislocations dynamics code Tridis BCC 2.0, featuring bothperformance and dislocations segments interaction management enhancements, that allowsfor complex DD simulations of BCC iron structures with cross-slip