Ti-6Al-4V is the most widely used titanium alloy and is typically used in stages of gas turbine engines, due to its high strength-to-weight ratio, corrosion resistance and high strength at moderate temperatures. However, the alloy is susceptible to the development of strong textures during thermomechanical processing that leads to a preferred crystallographic orientation. These are referred to as macrozones and are thought to develop during the β to α phase transformation, as a result of the retention of large prior β grains during processing and variant selection. Macrozones are clusters of neighbouring grains with a common crystallographic orientation that may act as one single grain during loading and have been shown to cause scatter in the fatigue life. The focus of the current work was based on the analysing the strain behaviour of soft, hard and no macrozones within the microstructure, during various loading conditions. The local strain behaviour was studied at a micro and nanoscale, using the digital image correlation (DIC) technique, which utilises microstructural images recorded during mechanical loading. On a microscale, the no-macrozone and strong-macrozone condition loaded at 0% exhibited homogeneous strain behaviour. The strong-macrozone condition loaded at 45% and 90% to the extrusion direction, respectively, developed pronounced high strain bands correlating to regions that were favourably oriented for prismatic and basal slip, respectively. Characterisation of the slip bands provided a detailed understanding of the deformation behaviour at the nanoscale and the slip system was subsequently determined for each grain using slip trace analysis. Prismatic slip was the dominant slip system in all conditions, particularly in the soft-oriented macrozone regions of the strong-macrozone condition loaded at 45 degrees. Shear strains of 10 times the appliedstrain were observed. Further investigations on the strong-macrozone condition loaded at 45 degrees to ED during standard and dwell fatigue demonstrated early failure in the dwell sample, with higher strain accumulation for dwell.

Ce travail a porté sur l'étude des mécanismes d'amorçage de fissures de fatigue dans l'alliage Ti-6Al-4V. Il a permis de mettre en évidence l'existence d'une structure fantôme, associée à l'hérédité structurale des alliages de titane, et composée de grains dont les dimensions sont près de 100 fois supérieures à la taille microstructurale. Nos travaux ont montré que ces grains millimétriques, que nous avons nommés ‘macrozones', peuvent avoir une influence marquée sur la réponse mécanique locale du matériau, ainsi que sur les mécanismes de fissuration. Des mesures en rayons X ont montré qu'en première approximation, les macrozones constituent des plages au sein desquelles la phase α possède une orientation cristallographique majoritaire. Une analyse complémentaire en EBSD a en outre révélé l'existence d'orientations secondaires qui correspondent à des variants de Bürgers de l'orientation principale. D'autre part, les orientations cristallographiques des macrozones voisines ne respectent pas la relation de Bürgers ; nous pensons donc que les macrozones correspondent aux ex-grains β. Afin de caractériser les premiers stades de fissuration en fatigue, des essais de flexion pure ont été réalisés. La fissuration est apparue très hétérogène à l'échelle des macrozones. Dans chaque macrozone, les fissures formées sont situées soit dans le plan de base, soit dans l'un des plans prismatiques, suivant le système de glissement ayant la cission résolue maximale. Outre l'orientation cristallographique de la macrozone, la densité de fissuration dépend également de l'orientation de la direction de glissement par rapport à la surface. Finalement, nous avons pu établir une loi d'évolution de la densité de fissuration en fonction de l'amplitude de cisaillement et de l'orientation cristallographique de la macrozone vis-à-vis de la sollicitation et de la surface. Notre étude a également montré que deux mécanismes distincts interviennent lors de la propagation des fissures : la coalescence de fissures entre elles et la propagation pure. L'importance de la coalescence croît avec la densité d'amorçage de la macrozone et est donc liée à son orientation cristallographique. Au contraire, la propagation pure ne dépend que très peu de l'orientation cristallographique des macrozones. De plus, lorsque la taille de la fissure est inférieure à celle de la macrozone, la propagation pure s'apparente à un régime de fissure courte dont la principale barrière microstructurale est l'interface entre macrozones. D'autre part, des observations expérimentales ont montré qu'au-delà de 500 µm, la propagation d'une fissure en fond d'entaille suit une loi de Paris. L'ensemble de ces résultats nous a permis de proposer un modèle de propagation de fissure en fond d'entaille. Enfin, un modèle prédictif de durée de vie a été construit, fondé sur des calculs de facteurs de Schmid dans des macrozones assimilées à des monocristaux de titane-α. Ce modèle permet une bonne approximation des durées de vie minimales d'éprouvettes lisses. Il fournit en outre une bonne compréhension des fortes variations de durées de vie d'éprouvettes entaillées, en considérant l'orientation cristallographique de la macrozone située dans la zone d'amorçage.

Dans le domaine aéronautique la réduction du ratio buy to fly pour les pièces de structure est devenue un enjeu majeur. Il s'agit de développer, à coût matière réduit, des appareils consommant moins de carburant tout en proposant une autonomie et une capacité de transport plus importantes. Ce travail de recherche s'inscrit dans cette problématique industrielle, et accompagne Airbus dans le développement du procédé de soudage par faisceau d'électrons de tôles en alliage TA6V dans le but de concurrencer (en proposant une diminution du ratio buy to fly) les procédés classiques de forgeage/matriçage des pièces de structure. Toutefois, le soudage du TA6V, malgré un traitement thermique de détensionnement, conduit à une hétérogénéité de microstructure caractérisée par l'apparition de très fines lamelles de phase α associées à une diminution de la résistance à la propagation de fissures dans la zone soudée par rapport à celle du matériau de base. Ce gradient de propriétés mécaniques est acceptable pour l'application souhaitée, néanmoins, pour étendre ce procédé d'assemblage à d'autres pièces de structure un Traitement Thermique Post-Soudage (TTPS) est envisagé. On vise ainsi à atteindre, dans l'intégralité de la tôle soudée, un meilleur compromis entre la résistance à la propagation de fissure et les propriétés en statique. Dans ce travail de thèse, des lignes de fusion ont été réalisées par la société Airbus sur des tôles laminées d'épaisseurs 12mm présentant une microstructure biphasée α+β soit équiaxe (dite recuit α-β), soit lamellaire (dite recuit β). La caractérisation de chacune des microstructures et des propriétés mécaniques (via des essais de traction, de résilience et de propagation de fissure en fatigue) de la zone de fusion et du matériau de base a permis d'appréhender les mécanismes d'endommagement de l'alliage soudé. Les résultats macroscopiques des essais mécaniques associés à l'étude des faciès de rupture et des chemins de propagation de fissure ont par ailleurs révélé, pour chacune des microstructures impliquées (recuit α-β et recuit β), une importante anisotropie des propriétés mécaniques et de fortes hétérogénéités de comportement mécanique dans l'épaisseur de la tôle. La caractérisation de la microtexture par analyses EBSD de ces matériaux a mis en exergue la présence de nombreuses macrozones contribuant aux hétérogénéités observées. Le développement d'un Traitement Thermique Post-Soudage (TTPS) à partir de l'état recuit β soudé ne permet pas d'aboutir à des propriétés mécaniques statiques satisfaisantes dans la tôle à cause d'un grossissement excessif des ex-grains β. C'est pourquoi, un TTPS à partir de l'état recuit α-β soudé a été envisagé afin d'homogénéiser la microstructure et d'améliorer la résistance à la propagation de fissure de l'ensemble de la tôle soudée. Finalement, une optimisation du TTPS est proposée en considérant le passage de l'échelle du laboratoire à l'échelle industrielle. Les caractérisations microstructurales et mécaniques après TTPS ont par la suite été confrontées aux résultats obtenus sur le matériau recuit β, ce qui a permis de comprendre les avantages et les limites du TTPS choisi. / In the aeronautic industry, the reduction of the « buy-to-fly » ration for structural parts has become a major issue. The goal is to develop planes, at a reduced material cost, requiring less fuel with an extended range and higher load capacity. This research study has been designed with the Airbus Company in order to contribute to solve this industrial problem. In particular, the development of the electron beam welding process of the β annealed titanium alloy Ti-6Al-4V should concurrence the usual forging/pressing processes of structural parts. However, welding of Ti-6Al-4V, despite a stress relieving heat treatment, lead to a microstructural heterogeneity between the welded zone and the base metal and, as a consequence, to an heterogeneity of the mechanical properties. In comparison to the crack propagation resistance of the base metal, the one measured fusion zone is weaker and is associated to the presence of very thin α platelets. This mechanical properties gradient remains acceptable for the industrial purpose, nevertheless, in order to extend the use of the electron beam welding process to other structural parts, a Post-Welding Heat Treatment (PWHT) is considered. The aim is to achieve, in the entire welded plate, a better compromise between the crack propagation resistance and the static properties. In this PhD work, fusion lines were performed by the Airbus company on two rolled plates of biphasic α+β Ti-6Al-4V presenting either a lamellar microstructure (also called β annealed) or an equiaxe microstructure (also called α-β annealed). Characterizations of the microstructures involved as well as the mechanical properties helped to understand the failure mechanisms of the welded alloy. The analysis of the different test revealed, thanks to the observation of the crack propagation path on the Charpy specimens, that the very thin α platelets in the fusion zone do not act as a strong barrier against the crack propagation. On the contrary, in the case of the β annealed base metal, the α platelets are thick enough (1µm) to be an obstacle and to slow down the crack. In this case, the crack undergoes many deviations at the α/β interfaces, generating a very long and tortuous crack path. In order to improve the mechanical properties of the fusion zone, it seems appropriate to apply a PWHT, which will transform the microstructure and increase the thickness of the α platelets in the fusion zone. This PWHT consists mainly in a treatment in the β field followed by a controlled cooling rate. However, even if the PWHT applied on the β annealed and welded material lead to a thickening of the α platelets and improve the crack propagation resistance in the fusion zone, a strong enlargement of the prior β grain in the base metal is responsible of low tensile properties. That is why, a PWHT applied on the α-β annealed material is considered in order to homogenize simultaneously the microstructure in both fusion zone and base metal and improve the mechanical in the entire welded plate. Results obtained from the Charpy tests underline that the PWHT applied on the α-β annealed and welded material lead to homogeneous fracture energies in the plate, and to an higher fracture energy after PWHT than the one in the fusion zone of the β annealed material, which fulfill the initial industrial goal. An important anisotropy of the mechanical properties as well as important fluctuations of these properties in t he thickness of the plates has also been observed. The EBSD analyses of the crystallographic microtexture revealed the presence of numerous macrozones responsible of the heterogeneities observed for both microstructures.

The optimisation of compressor stage aerofoil and fan blade design remains an important area of titanium alloy research and development for aerospace gas turbines. Such research has important implications for critical and sensitive component integrity and efficiency. In particular, a better understanding of how deformation twinning interacts with microstructural features in titanium alloys is required, because such twinning facilitates plastic deformation at a higher strain rate than dislocations. To investigate this behaviour, commercial purity titanium and the titanium alloy Ti–6Al–4V were subjected to ballistic impact testing at room temperature with a high strain rate of 10³s⁻¹. In addition, a detailed analysis was conducted of three manufacturing processes of Ti–6Al–4V (wt. %) that are likely to cause deformation twinning: metallic shot peening, laser shock peening and deep cold rolling. The results presented in this thesis have furthered the understanding of the role of deformation twinning in the plastic deformation of α-phase titanium. Key findings of the research include the characterisation of deformation twinning types and the conditions that favour certain deformation twinning types. From the analysis of the ballistic testing of commercial purity titanium, the first definitive evidence for the existence of {112‾4} twinning as a rare deformation twinning mode at room temperature in coarse-grained commercial purity titanium is presented. In addition, the ballistic testing results of the Ti–6Al–4V alloy highlighted very different deformation twinning characteristics. Commercial purity titanium deformed plastically by a combination of {101‾2} and {112‾1} tensilve twinning and {112‾4} and {112‾2} compression twinning modes. By contrast, the deformation twinning of Ti–6Al–4V was limited to only the {101‾2} and {112‾1} tensile twinning modes. The two tensile deformation twinning types have very different morphologies in equiaxed fine grained Ti–6Al–4V. {112‾1} deformation twins span multiple grain boundaries and {101‾2} deformation twins reorient entire grains to a twinned orientation. This observation provides evidence for whole grain twinning of equiaxed fine grained Ti–6Al–4V by {101‾2} twinning. Grain boundary interactions between various deformation twinning types and alpha phase grain boundaries in commercial purity titanium and Ti–6Al–4V are reported and analysed. In commercial purity titanium {101‾2} as well as other deformation twinning types were observed interacting across alpha phase boundaries and higher angle alpha phase grain boundaries. The analyses of the manufacturing processes of Ti–6Al–4V highlight the very different dislocation and deformation twinning structures in surfaces processed by these techniques. A notable feature of material processed by laser shock peening is the almost complete absence of deformation twinning, contrasting with the frequent observation of extensive deformation twinning observed in the material processed by metallic shot peening and deep cold rolling. Therefore, the findings suggest that there is a strain rate limit above which deformation twinning is suppressed. The implications of this research are that a better understanding of the conditions that that favour certain deformation twinning types or propagation behaviours will enable more accurate plasticity modelling and better alloy design. This is important for the design and the manufacturing of titanium components and the high strain rate deformation to which titanium components in aerospace gas turbines can be subjected because of bird strike, foreign object debris ingestion or fan blade failures.

<p>There is a growing need to understand the deformation mechanisms in titanium alloys due to their widespread use in the aerospace industry (especially within gas turbine engines), variation in their properties and performance based on their microstructure, and their tendency to undergo premature failure due to dwell and high cycle fatigue well below their yield strength. Crystal plasticity finite element (CPFE) modeling is a popular computational tool used to understand deformation in these polycrystalline alloys. With the advancement in experimental techniques such as electron backscatter diffraction, digital image correlation (DIC) and high-energy x-ray diffraction, more insights into the microstructure of the material and its deformation process can be attained. This research leverages data from a number of experimental techniques to develop well-informed and calibrated CPFE models for titanium alloys at multiple length-scales and use them to further understand the deformation in these alloys.</p> <p>The first part of the research utilizes experimental data from high-energy x-ray diffraction microscopy to initialize grain-level residual stresses and capture the correct grain morphology within CPFE simulations. Further, another method to incorporate the effect of grain-level residual stresses via geometrically necessary dislocations obtained from 2D material characterization is developed and implemented within the CPFE framework. Using this approach, grain level information about residual stresses obtained spatially over the region of interest, directly from the EBSD and high-energy x-ray diffraction microscopy, is utilized as an input to the model.</p> <p>The second part of this research involves calibrating the CPFE model based upon a systematic and detailed optimization routine utilizing experimental data in the form of macroscopic stress-strain curves coupled with lattice strains on different crystallographic planes for the α and β phases, obtained from high energy X-ray diffraction experiments for multiple material pedigrees with varying β volume fractions. This fully calibrated CPFE model is then used to gain a comprehensive understanding of deformation behavior of Ti-6Al-4V, specifically the effect of the relative orientation of the α and β phases within the microstructure.</p> <p>In the final part of this work, large and highly textured regions, referred to as macrozones or microtextured regions (MTRs), with sizes up to several orders of magnitude larger than that of the individual grains, found in dual phase Titanium alloys are modeled using a reduced order simulation strategy. This is done to overcome the computational challenges associated with modeling macrozones. The reduced order model is then used to investigate the strain localization within the microstructure and the effect of varying the misorientation tolerance on the localization of plastic strain within the macrozones.</p>

<div>In this thesis, the role of location-specific microstructural features in the fatigue performance of the safety-critical aerospace components made of Nickel (Ni)-base superalloys and linear friction welded (LFW) Titanium (Ti) alloys has been studied using crystal plasticity finite element (CPFE) simulations, energy dispersive X-ray diffraction (EDD), backscatter electron (BSE) images and digital image correlation (DIC).</div><div><br></div><div>In order to develop a microstructure-sensitive fatigue life prediction framework, first, it is essential to build trust in the quantitative prediction from CPFE analysis by quantifying uncertainties in the mechanical response from CPFE simulations. Second, it is necessary to construct a unified fatigue life prediction metric, applicable to multiple material systems; and a calibration strategy of the unified fatigue life model parameter accounting for uncertainties originating from CPFE simulations and inherent in the experimental calibration dataset. To achieve the first task, a genetic algorithm framework is used to obtain the statistical distributions of the crystal plasticity (CP) parameters. Subsequently, these distributions are used in a first-order, second-moment method to compute the mean and the standard deviation for the stress along the loading direction (σ_load), plastic strain accumulation (PSA), and stored plastic strain energy density (SPSED). The results suggest that an ~10% variability in σ_load and 20%-25% variability in the PSA and SPSED values may exist due to the uncertainty in the CP parameter estimation. Further, the contribution of a specific CP parameter to the overall uncertainty is path-dependent and varies based on the load step under consideration. To accomplish the second goal, in this thesis, it is postulated that a critical value of the SPSED is associated with fatigue failure in metals and independent of the applied load. Unlike the classical approach of estimating the (homogenized) SPSED as the cumulative area enclosed within the macroscopic stress-strain hysteresis loops, CPFE simulations are used to compute the (local) SPSED at each material point within polycrystalline aggregates of 718Plus, an additively manufactured Ni-base superalloy. A Bayesian inference method is utilized to calibrate the critical SPSED, which is subsequently used to predict fatigue lives at nine different strain ranges, including strain ratios of 0.05 and -1, using nine statistically equivalent microstructures. For each strain range, the predicted lives from all simulated microstructures follow a log-normal distribution; for a given strain ratio, the predicted scatter is seen to be increasing with decreasing strain amplitude and are indicative of the scatter observed in the fatigue experiments. Further, the log-normal mean lives at each strain range are in good agreement with the experimental evidence. Since the critical SPSED captures the experimental data with reasonable accuracy across various loading regimes, it is hypothesized to be a material property and sufficient to predict the fatigue life.</div><div><br></div><div>Inclusions are unavoidable in Ni-base superalloys, which lead to two competing failure modes, namely inclusion- and matrix-driven failures. Each factor related to the inclusion, which may contribute to crack initiation, is isolated and systematically investigated within RR1000, a powder metallurgy produced Ni-base superalloy, using CPFE simulations. Specifically, the role of the inclusion stiffness, loading regime, loading direction, a debonded region in the inclusion-matrix interface, microstructural variability around the inclusion, inclusion size, dissimilar coefficient of thermal expansion (CTE), temperature, residual stress, and distance of the inclusion from the free surface are studied in the emergence of two failure modes. The CPFE analysis indicates that the emergence of a failure mode is an outcome of the complex interaction between the aforementioned factors. However, the possibility of a higher probability of failure due to inclusions is observed with increasing temperature, if the CTE of the inclusion is higher than the matrix, and vice versa. Any overall correlation between the inclusion size and its propensity for damage is not found, based on inclusion that is of the order of the mean grain size. Further, the CPFE simulations indicate that the surface inclusions are more damaging than the interior inclusions for similar surrounding microstructures. These observations are utilized to instantiate twenty realistic statistically equivalent microstructures of RR1000 – ten containing inclusions and remaining ten without inclusions. Using CPFE simulations with these microstructures at four different temperatures and three strain ranges for each temperature, the critical SPSED is calibrated as a function of temperature for RR1000. The results suggest that critical SPSED decreases almost linearly with increasing temperature and is appropriate to predict the realistic emergence of the competing failure modes as a function of applied strain range and temperature.</div><div><br></div><div>LFW process leads to the development of significant residual stress in the components, and the role of residual stress in the fatigue performance of materials cannot be overstated. Hence, to ensure fatigue performance of the LFW Ti alloys, residual strains in LFW of similar (Ti-6Al-4V welded to Ti-6Al-4V or Ti64-Ti64) and dissimilar (Ti-6Al-4V welded to Ti-5Al-5V-5Mo-3Cr or Ti64-Ti5553) Ti alloys have been characterized using EDD. For each type of LFW, one sample is chosen in the as-welded (AW) condition and another sample is selected after a post-weld heat treatment (HT). Residual strains have been separately studied in the alpha and beta phases of the material, and five components (three axial and two shear) have been reported in each case. In-plane axial components of the residual strains show a smooth and symmetric behavior about the weld center for the Ti64-Ti64 LFW samples in the AW condition, whereas these components in the Ti64-Ti5553 LFW sample show a symmetric trend with jump discontinuities. Such jump discontinuities, observed in both the AW and HT conditions of the Ti64-Ti5553 samples, suggest different strain-free lattice parameters in the weld region and the parent material. In contrast, the results from the Ti64-Ti64 LFW samples in both AW and HT conditions suggest nearly uniform strain-free lattice parameters throughout the weld region. The observed trends in the in-plane axial residual strain components have been rationalized by the corresponding microstructural changes and variations across the weld region via BSE images. </div><div><br></div><div>In the literature, fatigue crack initiation in the LFW Ti-6Al-4V specimens does not usually take place in the seemingly weakest location, i.e., the weld region. From the BSE images, Ti-6Al-4V microstructure, at a distance from the weld-center, which is typically associated with crack initiation in the literature, are identified in both AW and HT samples and found to be identical, specifically, equiaxed alpha grains with beta phases present at the alpha grain boundaries and triple points. Hence, subsequent fatigue performance in LFW Ti-6Al-4V is analyzed considering the equiaxed alpha microstructure.</div><div><br></div><div>The LFW components made of Ti-6Al-4V are often designed for high cycle fatigue performance under high mean stress or high R ratios. In engineering practice, mean stress corrections are employed to assess the fatigue performance of a material or structure; albeit this is problematic for Ti-6Al-4V, which experiences anomalous behavior at high R ratios. To address this problem, high cycle fatigue analyses are performed on two Ti-6Al-4V specimens with equiaxed alpha microstructures at a high R ratio. In one specimen, two micro-textured regions (MTRs) having their c-axes near-parallel and perpendicular to the loading direction are identified. High-resolution DIC is performed in the MTRs to study grain-level strain localization. In the other specimen, DIC is performed on a larger area, and crack initiation is observed in a random-textured region. To accompany the experiments, CPFE simulations are performed to investigate the mechanistic aspects of crack initiation, and the relative activity of different families of slip systems as a function of R ratio. A critical soft-hard-soft grain combination is associated with crack initiation indicating possible dwell effect at high R ratios, which could be attributed to the high-applied mean stress and high creep sensitivity of Ti-6Al-4V at room temperature. Further, simulations indicated more heterogeneous deformation, specifically the activation of multiple families of slip systems with fewer grains being plasticized, at higher R ratios. Such behavior is exacerbated within MTRs, especially the MTR composed of grains with their c-axes near parallel to the loading direction. These features of micro-plasticity make the high R ratio regime more vulnerable to fatigue damage accumulation and justify the anomalous mean stress behavior experienced by Ti-6Al-4V at high R ratios.</div><div><br></div>