A geração de novas fontes de energia limpa, segura e renovável por meio da fusão nuclear envolve importantes desafios tecnológicos, dentre eles a pesquisa, caracterização e a fabricação de materiais avançados para os futuros reatores de fusão nuclear. Os aços ferrítico-martensíticos de reduzida atividade radioativa, em especial a liga Eurofer-97, destacam-se por apresentar uma combinação única de propriedades para esta aplicação. O objetivo desta Tese de Doutorado é avaliar a estabilidade microestrutural deste aço recozido numa ampla faixa de temperaturas. Cálculos termodinâmicos e testes de dilatometria foram usados para determinar as temperaturas de transformação de fase. A estabilidade microestrutural foi estudada por meio de recozimentos isotérmicos entre 200 e 1350oC após laminação a frio com reduções de 40, 70, 80 e 90%. A avaliação da estabilidade mecânica do aço Eurofer-97 foi realizada por meio de medidas de dureza Vickers. As principais técnicas utilizadas para caracterização microestrutural foram microscopias eletrônica de varredura e de transmissão, tomografia por sonda atômica e medidas de magnetização DC. Tanto a textura como a microtextura foram determinadas por meio de medidas de difração de raios X e de elétrons retroespalhados (EBSD). Recuperação, recristalização primária e crescimento anormal de grão ocorrem neste material recozido abaixo de 800oC. Acima desta temperatura, a transformação martensítica ocorre alterando bastante a micoroestrutura. A cinética de crescimento anormal de grão é alterada pela quantidade de redução a frio previamente aplicada. A hipótese proposta para explicar o crescimento anormal de grãos neste material baseia-se principalmente na vantagem de tamanho adquirida pelos núcleos de recristalização primária com diferenças de orientação médias superiores a 45º em relação aos vizinhos. Neste caso, o crescimento anormal de grão é responsável por fortalecer as componentes {111} e {111}, {001} e {110}. Acima de 800oC a transformação martensítica prevalece elevando a dureza Vickers e randomizando a textura deste aço. As características do produto transformado dependem tanto da temperatura de austenitização quanto do tamanho incial do grão ferrítico. Os dados de composição química das partículas estáveis após recozimento em temperaturas inferiores a 800oC foram usados para validar os resultados dos cálculos termodinâmicos obtidos via Thermo-Calc. / Clean, safe, and renewable energy sources such as nuclear fusion comprise important technological challenges, including research, characterization and manufacture of advanced materials for future fusion reactors. Modified ferritic-martensitic steels with reduced radioactive activity (RAFM), especially Eurofer-97 steel, are among worldwide references in the nuclear field for their unique properties. The scope of this Thesis is to evaluate the microstructural (thermal) stability in ferritic-martensitic Eurofer-97 after annealing within a wide range of temperatures. Themodinamic calculations as well as dilatometric tests were used to determine the main phase transformation temperatures. The microstructural stability of this steel was followed by isothermal annealing between 200 and 1350°C after cold rolling to 40, 70, 80 and 90% reductions in thickness. The mechanical stability in the Eurofer-97 was assessed by Vickers microhardness measurements. Representative samples for each metallurgical condition were characterized by scanning electron microscopy, transmission electron microscopy, atom probe tomography, and DC-magnetization tests. Both texture and microtexture were evaluated by X-ray diffraction and electron backscattered diffraction (EBSD) techniques. Recovery, primary recrystallization, and abnormal grain growth (secondary recrystallization) processes have been observed at temperatures below 800°C. The amount of abnormally grown grains depends on the amount of previous cold rolling. The hypothesis for the most probable mechanism responsible for abnormal grain growth is based on the advantage size acquired by nuclei with misorientations above 45º surrounding their neighboring grains, even in regions where primary recrystallization was incomplete. The texture developed after abnormal grain growth has components belonging to ?- and ?-fibers with predominance of {111}, {111}, {100} e {110} components. The martensite transformation takes place when this steel is annealed above 800°C causing an increase of hardness, significant changes in microstructure, and texture weakening. The martensitic sructure depends very much on both austenitization temperature and initial austenitic grain size. The results of chemical analyses of stable particles present in samples annealed below 800oC were used to validate the thermodynamic calculations provided by Thermo-Calc.

Les alliages de titane β-métastables biocompatibles suscitent un intérêt croissant pour les applications médicales grâce à leur comportement superélastique et/ou effet mémoire de forme, leur excellente résistance à la corrosion et leur bonne aptitude à la déformation à froid. Dans le cadre de cette thèse, un alliage superélastique Ti-26Nb et un alliage à mémoire de forme Ti-24Nb ont été élaborés en creuset froid en semi-lévitation magnétique et ont fait l'objet d'une caractérisation approfondie sur le plan microstructural et mécanique. Les mécanismes de déformation activés lors d'une sollicitation mécanique ont été identifiés pour les deux alliages au moyen d'essais de traction couplés à des mesures in-situ en diffraction des rayons X. Une procédure d'optimisation basée sur des traitements thermo-mécaniques nano-structurants a été développée pour augmenter simultanément la résistance mécanique et la superélasticité tout en conservant un bas module élastique. Un ensemble de propriétés qui conditionne la réussite de la pose d'implant en améliorant la qualité de transfert des contraintes à l'interface os/implant. Les évolutions microstructurales à l'origine de l'optimisation de ces propriétés ont été étudiées par diffraction des rayons X, microscopie électronique à transmission et essais mécaniques. Ce travail se conclut par une introduction à la modélisation micromécanique du comportement du Ti-26Nb. Les caractéristiques cristallographiques de la transformation martensitique ont été déterminées en se basant sur la théorie de Ball et James. L'influence de l'orientation cristallographique sur le comportement mécanique des monocristaux a été étudiée. / Biocompatible metastable β-titanium alloys have attracted much attention for biomedical applications in recent years thanks to their superelastic and/or shape memory behavior, their superior corrosion resistance and their excellent cold workability. In this present study, a superelastic Ti-26Nb alloy and a shape memory Ti-24Nb alloy were produced by the cold crucible levitation melting method. A detailed microstructural and mechanical characterization were performed. The deformation mechanisms occurring during uniaxial deformation were identified for these two alloys by coupling in situ tensile testing with X-ray diffraction measurement. An optimization route based on nanostructuring process was developed in order to enhance both strength and superelasticity while keeping a low elastic modulus. These properties are required to improve the load transfer along the bone/implant interface which is essential to the success of implants. The microstructural evolution during the thermomechanical process resulting in the optimization of properties was investigated through tensile tests, X-ray diffraction and transmission electron microcopy. The last part of this study deals with an introduction of micromechanical modeling of the Ti-26Nb behavior. The crystallographic features of the martensitic transformation were determined by applying the Ball and James theory. The influence of the crystallographic orientation on the mechanical response was investigated for tension and compression.

De nouvelles approches phénoménologiques sur la modélisation du comportement des AMFs sont nécessaires pour tenir en compte leur réponse complexe sous chargement multiaxial. L’effet de l’anisotropie induit une dépendance de leur comportement inélastique de la direction du chargement pour des cas superélastiques. La réorientation martensitique affecte drastiquement la réponse du matériau sous chargement non-proportionnel. La charge répétitive modifie aussi certaines propriétés du matériau. L’objectif de cette étude est de proposer un nouveau modèle constitutif thermodynamique robuste pour les AMFs, focalisé surtout sur des compositions NiTi équiatomiques pour capter la transformation martensitique anisotrope et la réorientation des variantes martensitiques. Une nouvelle approche mathématique est introduite pour permettre la prise en compte de l’anisotropie de contraintes et l’évolution des déformations inélastiques lors de la transformation directe, causée par les conditions de mise en forme de structures en AMFs. Cette méthode est évaluée en employant des courbes contraintes-déformations résultant de chargements proportionnels simulés par un modèle micromécanique. Un modèle phénoménologique considérant surtout la réorientation martensitique et mettant en évidence le fort couplage thermomécanique est développé. Il est implémenté dans une plate-forme numérique en C++, SMART+, et évalué en exécutant des simulations des expériences non-proportionnelles existantes. Des structures complexes sont également simulées en employant la Méthode des Élements Finis. La dernière partie de ce travail concerne l’étude expérimentale des effets du chargement cyclique sur l’évolution des déformations résiduelles et le seuil de transformation des alliages NiTi sous sollicitation uniaxiale et biaxiale. / New phenomenological approaches in modeling the behavior of SMAs are needed to account for their complex response under multiaxial loading. The effect of anisotropy induces a dependence of their inelastic behavior to the direction of the loading for superelastic cases. Martensitic reorientation affects drastically material response under non-proportional loading. Repeated loading also alters certain material properties. The goal of this study is to propose a new robust thermodynamic constitutive model for SMAs with focus on equiatomic NiTi compositions to capture anisotropic martensitic transformation and reorientation of martensitic variants, always taking in mind the strong thermomechanical coupling. A new mathematical approach is introduced to account for the anisotropy of stresses and the evolution of inelastic strains during forward transformation caused by the forming conditions of SMA structures. This method is evaluated by utilizing stress-strain curves resulting from proportional loading simulated with a micromechanical model. A phenomenological thermodynamic model considering especially martensitic reorientation and exhibiting the strong thermomechanical coupling is developed. It is implemented on a numerical platform in C++, SMART, and evaluated by simulating existing non-proportional experiments. Complex structures are also simulated using Finite Element Analysis. The last part of this work concerns the experimental study of the effects of cyclic loading to the evolution of residual strain and transformation threshold of NiTi under uniaxial and biaxial testing.

Weltweit wird ein großer Teil der Energie für die Kühlung unterschiedlichster Arten verwendet und der Bedarf steigt weiterhin an. Herkömmliche Kühlsysteme funktionieren mittels Kompression von Gasen mit sehr niedriger Verdampfungstemperatur. Diese Kältemittel sind entweder giftig, brennbar oder klimaschädlich. Deshalb zielen aktuelle Forschungsschwerpunkte auf alternative und nachhaltige Kühlsysteme. Eine vielversprechende Alternative ist der Einsatz von Festkörpern mit Phasenumwandlungen. Die durch verschiedene (magnetische, elektrische oder elastische) Felder induzierten Phasenübergänge ermöglichen die Nutzung kalorischer Effekte. Der magnetokalorische Effekt (MKE) beschreibt das physikalische Phänomen, bei dem ein sich veränderndes äußeres Magnetfeld unter adiabatischen Bedingungen zu einer Temperaturänderung in einem magnetischen Material führt. Für die Nutzung des MKE in Kühlsystemen stellen die Ni-Mn-X (X = Ga, In, Sb, Sn) Heusler-Legierungen eine geeignete Materialklasse dar. Sie besitzt mit ihrer gekoppelten magnetostrukturellen Umwandlung, bei der eine martensitische Phasenumwandlung auch die magnetischen Eigenschaften ändert, ein großes Potential für einen MKE. Beim Absenken der Temperatur unter die Umwandlungstemperatur kommt es zu einer diffusionslosen Strukturumwandlung von einer hohen zu einer niedrigeren Kristallsymmetrie. Dabei wird die Hochtemperaturphase als Austenit und die Niedrigtemperaturphase als Martensit bezeichnet. Werden einige Atomprozent Kobalt zu Ni-Mn-Ga hinzulegiert, ändern sich die magnetischen Eigenschaften der Phasen deutlich. So zeigt Ni-Mn-Ga-Co einen magnetostrukturellen Übergang zwischen der ferromagnetischen Austenitphase und der ferrimagnetischen Martensitphase und damit einen inversen MKE. Beim Anlegen eines äußeren magnetischen Feldes kommt es demnach zu einer Abkühlung des funktionalen Materials und damit zu positiven Werten der Entropieänderung. Für die Anwendung dieser Festkörper als Kühlelemente in Mikrosystemen ist die Entwicklung und Charakterisierung dünner Schichten nötig. Ihr hohes Oberflächen-zu-Volumen-Verhältnis ermöglicht einen schnellen Wärmeaustausch mit dem umgebenden Medium, wodurch hohe Zyklusfrequenzen erreichbar sind. Entsprechend können hohe spezifische Kühlleistungen erzielt werden. Epitaktische Ni-Mn-basierende Heusler-Legierungsschichten sind außerdem ein gutes Modellsystem für die Untersuchung des Einflusses von Ober- und Grenzflächen auf die Phasenumwandlung und die Materialeigenschaften und erlauben Untersuchungen zu den Ursachen der Hysterese, die bei einer martensitischen Phasenumwandlung auftritt. In dieser Arbeit werden epitaktisch gewachsene Ni-Mn-Ga-Co-Schichten, die eine gekoppelte strukturelle und magnetische Phasenumwandlung nahe Raumtemperatur besitzen, hergestellt und charakterisiert. Ausgehend von Vorarbeiten zu Ni-Mn-X-Schichten und vielversprechenden Zusammensetzungen, die von Massivmaterialproben bekannt sind, wird durch die Variation der Herstellungsparameter und der chemischen Zusammensetzung der Schichten, magnetostrukturelle Umwandlungen mit scharfen Umwandlungsbereichen und geringer thermischen Hysterese bei großer Magnetisierungsänderung erzielt. Anhand von zwei mittels Kombinatorik hergestellter Probenserien wird der Einfluss des Kobalt-Gehaltes auf strukturelle, magnetische und kalorische Eigenschaften untersucht und entspricht den Ergebnissen von Untersuchungen an Ni-Mn-Ga-Co-Massivmaterialien. Es wird gezeigt, wie sich die magnetischen und kalorischen Eigenschaften der Schichten nach der Ablösung vom Substrat ändern. Die Entropieänderung, die ein für die kalorischen Eigenschaften sehr wichtiger Parameter ist, wird indirekt mit Hilfe geeigneter Magnetisierungsmessungen bestimmt und zeigt vielversprechende Werte von bis zu 9,9 J/(kg K). Die Ergebnisse der verschiedenen Messwege durch den Magnetfeld-Temperatur-Phasenraum werden verglichen und die Unterschiede entsprechend des Nukleations- und Wachstumsmodells der martensitischen Umwandlung erläutert. Die Umwandlungszyklenzahl beeinflusst die Wiederholbarkeit der temperaturabhängigen Magnetisierungskurven und damit auf strukturelle und magnetische Eigenschaften der Schichten deutlich und reduziert die thermische Hysterese. Mittels unvollständiger Umwandlungszyklen kann die martensitische Umwandlung derart beeinflusst werden, dass sich die thermische Hysterese reduzieren lässt. Dadurch werden bestehende Nukleations- und Wachstumsmodelle der martensitischen Umwandlung bestätigt.

<p>Shape memory alloys (SMAs) belong to an important class of active materials. Beyond shape memory, these alloys exhibit super-elasticity and pseudo-plasticity, all originating from a reversible phase transformation from a high-temperature austenitic phase to a low temperature martensitic phase. Their unique thermo-mechanical properties make these SMAs desirable for a wide range of applications in automobiles, robotics, aerospace, construction, and medicine. Only a fraction of the known metallic alloys exhibits martensitic transformations, and a relatively small subset exhibits shape memory. Given this limited pool of SMAs, tunability of this martensitic transformation and, hence, thermo-mechanical properties is a way to move forward for effectively designing the next-generation SMAs for specific applications. The modification in composition has always been at the heart of designing new SMAs for future applications. However, a relatively recent discovery of incorporating a second non-transforming phase in base martensitic materials to tune martensitic transformation to achieve unprecedented thermo-mechanical properties has shown great promise.</p><p><br></p><p>The objective of this work is to utilize the second phase to provide design guidelines for next-generation SMAs and to understand the detailed physics behind the experimentally observed unprecedented thermo-mechanical properties in SMAs as a result of the incorporation of coherent second phases. We first investigate Mg-Sc shape memory alloys that are attractive for a wide range of applications due to their low density. Unfortunately, the use of these alloys is hindered by a low martensitic transformation temperature (173 K). We observe from first-principles calculations that epitaxial strains arising from appropriate substrate or coherent second phase selection increase the martensitic transformation and operational temperature to room temperature. Next, we develop a novel approach to induce martensitic transformation in composite systems of two non-transforming materials. While we demonstrate this approach for the technologically relevant ultra-lightweight Mg/MgLi superlattices, however, our approach is general and will open a wide material space for the discovery and design of next-generation SMAs.</p><p><br></p><p>Finally, to bridge the gap between computationally studied single-crystalline materials and experimentally studied polycrystalline systems, we characterize the role of nanoscale precipitates on temperature- and stress-induced martensitic phase transformation in nanocrystalline Ni63Al37 SMAs using multi-million-atoms molecular dynamics simulations. Simulations provide the understanding of underlying atomistic mechanisms of experimentally observed unprecedented thermo-mechanical properties and the guidelines to design low-fatigue ultra-fine grain shape memory alloys. As a result of the exploration of novel thermomechanical properties in SMAs via coherent second phases, we also published a software package</p><p>to discover coherent precipitates within a base multi-component system by coupling highthroughput equilibrium thermodynamics calculations with strain-based lattice matching.</p>

No description available.

Nous avons découvert une méthode originale pour produire une transformation de phase dans les nanofils de Ge et Si(de structure cubique diamant 3C).Sous l’action d’une contrainte externe à chaud, des nanodomaines de structure hexagonale diamant 2H se forment de manière quasi-périodique le long du fil ce qui résulte en un réseau 1D d’hétérostructures 3C/2H.Dans ce contexte,ce projet de thèse vise à mettre en lumière les mécanismes de cette transformation de phase et à caractériser les propriétés physiques de la phase 2H.Nous avons mis en place des analyses structurales systématiques dans les nanofils de Ge et Si-3C/2H pour mettre en évidence les paramètres clés de la transformation de phase.Les nanodomaines 2H sont formés dans des bandes de cisaillement de direction e2-5-5e.Une relation d’orientation a été mise en évidence:(1-10)3C//(-2110)2H et (110)3C//(0001)2H et les bandes 2H reposent majoritairement sur les plans d’interface (115)3C.Les études préliminaires montrent que la contrainte de cisaillement et le budget thermique sont nécessaires à la transformation avec une température seuil minimale de 350°C et 500°C pour le Ge et le Si respectivement,ces conditions sont caractéristiques d’une transformation martensitique.Les paramètres clés identifiés : l’orientation cristallographique et le diamètre des nanofils.Dans les nanofils de Si, la formation des bandes de cisaillement et donc des domaines 2H est induite par la composante de contrainte de cisaillement dans la direction de glissement du plan interfacial 3C/2H. D’après ces résultats, la transformation de phase serait compatible avec un mécanisme de relaxation plastique via la formation des bandes de cisaillement (5-5-2)(1-15)3C.Nous avons réalisé des mesures Raman spatialement résolues sur nanofil unique de Ge- et Si-3C/2H afin de mettre en évidence les modes de phonons optiques. Dans le Ge, nous avons détecté deux pics Raman à 288 cm−1 et 301 cm−1 attribués aux modes E2g et E1g + A1g + F2g. Dans le Si, nous avons observé trois pics Raman à 498, 515 et 520 cm−1 respectivement associés aux modes E2g, A1g et F2g. Ces valeurs coïncident avec les calculs reportés.Nous avons également mesuré les largeurs de bandes interdites dans les nanofils de Ge-3C/2H par spectroscopie infrarouge à transformée de Fourier:nous avons obtenu un gap direct à 0,58 eV attribué à la phase 2H et un gap indirect à 0,72 eV qui proviendrait vraisemblablement de la phase 3C.Ces valeurs constituent les premières mesures expérimentales du gap de la phaseGe-2H et vont dans le sens des calculs théoriques qui prédisent un gap étroit et direct. La phase 2H peut également être obtenue dans le massif de Si et Ge après décompression dans une cellule à enclumes de diamant menant à la phase BC8 qui se convertit à température ambiante(dans le Ge) ou à chaud(dans le Si) en phase 2H. Afin de comparer les propriétés du massif, nous avons réalisé des mesures in-situ par spectroscopie Raman et par diffraction des rayons X dans le massif en étudiant différents chemins de décompression. A température ambiante,nous obtenons soit la phase Ge-ST12, soit un mélange des phases Ge-ST12 et Ge-BC8 en fonction de la vitesse de décompression.La nucléation de la phase 2H est donc complexe car elle dépend fortement du chemin de décompression et des conditions hydrostatiques dans la cellule. Ces études révèlent de plus un effet de taille. Dans les nanofils de Ge,nous observons après décompression un retour vers la phase 3C avec une composante amorphe.Les mesures in-situ du gap dans le Ge massif et les nanofils de Ge en fonction de la pression confirment cet effet de taille. Après décompression dans le Ge massif, nous obtenons un gap direct égal à 0,53 eV et un gap indirect valant 0,73 eV. Ces valeurs sont liées à la structure de bandes de la phase Ge-ST12 et s’accordent avec les récents résultats reportés.La mesure dans les nanofils de Ge présente un comportement d’hystérésis avec le retour vers le gap initial après décompression. / We have demonstrated an original way to induce a phase transformation in Si and Ge nanowires under external shear-stress. The transformation results in an unprecedented heterostructure with quasiperiodic embedded Ge-2H nanodomains distributed all along the nanowire. My thesisproject aims at understanding the mechanisms of this phase transformation and at characterizing the physical properties of the heterostructures 2H/3C in Si and Ge nanowires.We have carried out systematic structural analysis in Si- and Ge-2H/3C nanowires to evidence the key parameters of this phase transformation.The phase transformation occurs in shear bands localized along the (2-5-5) direction.The heterostructured nanowires are defined by a specific orientation relationship between the 3C and the 2H bands (both in Si and Ge nanowires)given by(1-10)3C//(-2110)2H and (110)3C//(0001)2H with the 2H bands lying mainly on (115)3C planes.The preliminary studies showed that shear-stress and the thermal budget above a threshold temperature of 350°C in Ge and 500°C in Si are mandatory for this transformation. These conditions meet the common criteria of a martensitic phase transformation. We have identified two key intrinsic parameters:the temperature and the nanowires crystallographic axis.In Si nanowires, we found that the formation of the shear bands i.e. the 2H nanodomains is related to the component of the shear-stress along the glide direction of the 3C/2H interface plane.Based on these results,the transformation could be consistent with a stress relief mechanism through the formation of (5-5-2)(1-15)3C shear bands.We have performed spatially resolved Raman measurements on single Si and Ge heterostructured nanowires to characterize their optical phonon modes.In Ge,we have detected 2 Raman bands at 288 cm⁻ ᴵ and 301 cm⁻ ᴵ attributed to the E2g and E1g + A1g + F2g modes.In Si, we have observed 3 Raman bands at 498, 515 and 520 cm⁻ ᴵ that are associated respectively to the E2g, A1g and F2g modes.Those values agree well with the literature.Moreover, we have performed Fourier Transform Infrared spectroscopy on transformed Ge nanowires to measure the optical band gap of the 2H phase.We have obtained a direct band gap of 0,58 eV attributed to the 2H phase and an indirect bandgap of 0,72 eV that might stem from the 3C phase. Those results are the first experimental data of the Ge-2H band gap.The values align well with the simulations that predict a narrow direct band gap for this structure.The 2H structure can also be achieved in bulk Si and Ge after unloading of the BC8 phase in a diamond anvil cell.The BC8 phase is unstable and convertsinto the 2H phase at room temperature in Ge or by thermal annealing in Si.In order to compare the bulk properties of the 2H phase, we have performedin-situ Raman and X-ray diffraction experiments in bulk samples by studyingvarious unloading pathways. In particular, unloading at room temperature ledto the formation of the ST12 phase or a mixture of the BC8 and ST12 phasesdepending on the unloading rate.The formation of the 2H phase is thuscomplex given its dependency on the unloading conditions and the hydrostaticconditions within the cell that are difficult to garanty. Our studies also reveala size effect. After unloading of Ge-3C nanowires, the nanostructures revertback to the 3C phase with an amorphous component detected.In addition, we have carried out in-situ band gap measurements in bulk Ge and Ge nanowires as a function of pressure.After unloading, we havemeasured optical gap values that are related to the band structure of theGe-ST12 allotrope with a direct bandgap of 0,53 eV and an indirect bandgapof 0,73 eV.Those results are consistent with the experimental values reported.The experiments on Ge nanowires showed an hysteresis behavior with theinitial value of the band gap measured after unloading.Those results clearly evidenced novel relaxation mechanisms at the nanoscale that need to be investigated.

Title: Modeling of phase transformations in shape memory materials Author: Miroslav Frost Department: Mathematical Institute of Charles University Supervisor: Prof. Ing. František Maršík, DrSc., Mathematical Institute of Charles University Abstract: This thesis presents a new thermomechanical three-dimensional con- stitutive model of NiTi-based shape memory alloys. The model was formulated within the framework of generalised standard models and it features a novel form of the dissipation function, which combines contributions stemming from the phase transformation between austenite and martensite and from the reorienta- tion of martensite. The change in the material response associated with the phase transformation between austenite and R-phase as well as material anisotropy and tension-compression asymmetry are also covered. The time-evolutionary problem of a quasistatic mechanical loading of a NiTi body with prescribed temperature evolution was formulated and analyzed within the framework of energetic so- lutions. The corresponding time-incremental minimization problem provided a conceptual algorithm utilized in the numerical treatment. The constitutive mod- el was implemented into the finite element package Abaqus. Several numerical simulations were performed and compared with experiments. Keywords:...

Title: Martensite microstructures in thin films and monocrystals of Heusler alloys Ni-Mn-Ga Author: Kristýna Onderková Department: Department of Surface and Plasma Science Supervisor: Mgr. Ing. Oleg Heczko, Dr., Institute of Physics of the Czech Academy of Sciences Abstract: The submitted thesis examines mainly the first thin films from Ni-Mn-Ga Heusler alloy prepared by magnetron sputtering on the new equipment at Institute of Physics of Charles University. However, the work also analysed the thin films prepared in IFW Dresden and bulk material. The main focus of the work is primarily on the martensitic microstructures, because of the significant effect that their twin boundaries have on the magnetic shape memory phenomena. Microscopic techniques used for the research were mainly Scanning Electron Microscopy (SEM), but also Transmission Electron Microscopy (TEM) and Atomic Force Microscopy (AFM). As the Ni-Mn-Ga properties are stronly dependent on chemical composition, the composition was evaluated by two different methods (Electron Dispersive X-ray Spectroscopy and X-ray Fluorescence) and observed differences discussed. Finally the results were compared with X-ray diffraction (XRD) measurements and the films were further characterised by magnetic measurements using Vibrating Sample Magnetometer (VSM)....

For some alloys martensitic transformation is responsible for the so-called shape memory effect and pseudoelasticity. These properties are used in a wide range of industry applications. Each of these materials is transformed to the shape it was manufactured in when heated to its critical temperature (austenite phase) no matter how seriously it was deformed at lower temperatures (martensite phase). Looking at the microstructure, one can observe significant change of crystalographic lattice depending on temperature and deformation. This the- sis focuses on modelling the evolution of microstructure during deformation for materials in the martensite phase. In this case, the creation of multiple variants of martensite is observed, divided by interfaces where a part of energy is stored. This behaviour can be described by the phase-field model. The numerical im- plementation of this model using the standard finite element method requires large computational costs. The aim of this thesis is to implement this model in MATLAB using a spectral method based on the fast Fourier transform, which is suitable for solving problems on a periodic domain. It is interesting to com- pare the computation using spectral method on a conventional PC with the computation written in FEniCS computed on a cluster. However, the...