La liaison aube-disque d'un turboréacteur est soumise en opération à un chargement complexe composé d'une forte pression et d'un mouvement relatif oscillatoire, qui génère un phénomène de fretting–fatigue. L'apparition de celui-ci réduit la résistance en fatigue des structures et engendre des dégradations qui, sous différentes formes (usure, rupture), peuvent conduire à une perte de fonctionnalité. Afin d'assurer la fiabilité des turboréacteurs, il est donc utile d'améliorer l'estimation de la durée de vie sous chargement de fretting.Cette thèse est dédiée à la fois à l'étude de l'amorçage de la première fissure et de sa micropropagation dans le domaine dit "des fissures courtes", c'est-à-dire celles qui sont encore directement influencées par la microstructure locale. Pour remplir la première exigence, on développe un modèle numérique mettant en oeuvre un critère multiaxial de fatigue. Il permet de prédire la position de l'amorçage et le nombre de cycles correspondant, en prenant en compte d'éventuels traitements de surface. Dans un second temps, une étude numérique de la direction et de la cinétique de propagation des fissures est mise en place avec prise en compte de l'influence de la microstructure du matériau, à l'aide d'un modèle de plasticité cristalline qui prend en compte les différentes familles de systèmes de glissement. La vitesse de fissuration diminue à l'approche des joints de grains, ce qui est qualitativement conformes aux observations expérimentales. / The blade-disc fixings of an aircraft engine are subjected to complex loadings composed by a high pressure and oscillatory relative motions during operation. This corresponds to a loading type called fretting. The appearance of fretting phenomenon reduces the fatigue resistance of structuresand generates damage which, in various forms (wear, rupture), can lead to a loss of functionality. In order to ensure the reliability of turbo-engines, the improvement of the models for estimating life prediction is then needed.This thesis is devoted to the study of crack initiation and crack micro-propagation, in the so called "short crack domain", where they are still in interaction with the microstructure. At first, a multiaxial fatigue model is proposed. It predicts the location and the number of cycles to initiation, taken into account the possible surface treatments. Then, a numerical study of the direction and the kinetics of crack propagation is performed with consideration to the influence of the material microstructure. A crystal plasticity model is used, that takes into account all the relevant families of crystallographic slip systems. The crack plane is assumed to be one of the crystallographic plane where the plastic slip is the most intense. The crack propagation rate decreases when approaching grain boundaries, that is qualitatively consistent with the experimental observations.

Polycrystalline materials are widely used for industrial applications. These materials are highly anisotropic with different responses under different loading conditions. This dissertation uses a crystal plasticity scheme in the finite element framework (CPFEM) to study deformation mechanisms in alumina, aluminium and stainless steel – all polycrystalline. Four research cases in this dissertation have been presented in the form of manuscripts for publication. When possible, modelling predictions have been compared against various experimental techniques such as Diffraction Contrast Tomography (DCT), Neutron Diffraction (ND) and Electron Back Scatter Diffraction (EBSD). After an introduction (Chapter 1) and a literature review (Chapter 2) on plastic deformation and modelling techniques, the methodology and results are presented and discussed (Chapters 3 and 4). Measurements of elastic strains for individual grain families (ND) and local rotations (DCT and EBSD) are compared against corresponding predictions by the model following different loading modes. Each study reveals different degrees of agreement between predictions and measurements. The individual conclusions to each study are presented in Chapter 4. Some overall conclusions and suggestions for further work are presented in Chapter 5.

No description available.

No description available.

The macroscopic behavior of complex heterogeneous materials is strongly governed by the interactions between their elementary constituents within their microstructure. Beside experimental efforts characterizing the behaviors of such materials, there is growing interest, in view of the increasing computational power available, in building models representing their microstructural systems integrating the elementary behaviors of their constituents and their geometrical organization. While a large number of contributions on this aspect focus on the investigation of advanced physics in material parameter studies using rather simple geometries to represent the spatial organization of heterogeneities, few are dedicated to the exploration of the role of microstructural geometries by means of morphological parameter studies.<p>The critical ingredients of this second type of investigation are (I) the generation of sets of representative volume elements ( RVE ) describing the geometry of microstructures with a satisfying control on the morphology relevant to the material of interest and (II) the discretization of governing equations of a model representing the investigated physics on those RVEs domains. One possible reason for the under-representation of morphologically detailed RVEs in the related literature may be related to several issues associated with the geometrical complexity of the microstructures of considered materials in both of these steps. Based on this hypothesis, this work is aimed at bringing contributions to advanced techniques for the generation and discretization of microstructures of complex heterogeneous materials, focusing on geometrical issues. In particular, a special emphasis is put on the consistent geometrical representation of RVEs across generation and discretization methodologies and the accommodation of a quantitative control on specific morphological features characterizing the microstructures of the covered materials.<p>While several promising recent techniques are dedicated to the discretization of arbitrary complex geometries in numerical models, the literature on RVEs generation methodologies does not provide fully satisfying solutions for most of the cases. The general strategy in this work consisted in selecting a promising state-of-the-art discretization method and in designing improved RVE generation techniques with the concern of guaranteeing their seamless collaboration. The chosen discretization technique is a specific variation of the generalized / extended finite element method that accommodates the representation of arbitrary input geometries represented by level set functions. The RVE generation techniques were designed accordingly, using level set functions to define and manipulate the RVEs geometries. <p>The RVE methodologies developed are mostly morphologically motivated, incorporating governing parameters allowing the reproduction and the quantitative control of specific morphological features of the considered materials. These developments make an intensive use of distance fields and level set functions to handle the geometrical complexity of microstructures. Valuable improvements were brought to the RVE generation methodologies for several materials, namely granular and particle-based materials, coated and cemented geomaterials, polycrystalline materials, cellular materials and textile-based materials. RVEs produced using those developments have allowed extensive testing of the investigated discretization method, using complex microstructures in proof-of-concept studies involving the main ingredients of RVE-based morphological parameter studies of complex heterogeneous materials. In particular, the illustrated approach offers the possibility to address three crucial aspects of those kinds of studies: (I) to easily conduct simulations on a large number of RVEs covering a significant range of morphological variations for a material, (II) to use advanced constituent material behaviors and (III) to discretize large 3D RVEs. Based on those illustrations and the experience gained from their realization, the main strengths and limitations of the considered discretization methods were clearly identified. / Doctorat en Sciences de l'ingénieur / info:eu-repo/semantics/nonPublished

III-valent dopants have shown to be most effective in stabilizing the ferroelectric, crystalline phase in atomic layer deposited, polycrystalline HfO₂ thin films. On the other hand, such dopants are commonly used for tetragonal and cubic phase stabilization in ceramic HfO₂. This difference in the impact has not been elucidated so far. The prospect is a suitable doping to produce ferroelectric HfO₂ ceramics with a technological impact. In this paper, we investigate the impact of Al, Y, and La doping, which have experimentally proven to stabilize the ferroelectric Pca21 phase in HfO₂, in a comprehensive first-principles study. Density functional theory calculations reveal the structure, formation energy, and total energy of various defects in HfO₂. Most relevant are substitutional electronically compensated defects without oxygen vacancy, substitutional mixed compensated defects paired with a vacancy, and ionically compensated defect complexes containing two substitutional dopants paired with a vacancy. The ferroelectric phase is strongly favored with La and Y in the substitutional defect. The mixed compensated defect favors the ferroelectric phase as well, but the strongly favored cubic phase limits the concentration range for ferroelectricity. We conclude that a reduction of oxygen vacancies should significantly enhance this range in Y doped HfO₂ thin films. With Al, the substitutional defect hardly favors the ferroelectric phase before the tetragonal phase becomes strongly favored with the increasing concentration. This could explain the observed field induced ferroelectricity in Al-doped HfO₂. Further Al defects are investigated, but do not favor the f-phase such that the current explanation remains incomplete for Al doping. According to the simulation, doping alone shows clear trends, but is insufficient to replace the monoclinic phase as the ground state. To explain this fact, some other mechanism is needed.