Material failure plays an important role in human life. By investigating the failure mechanisms, people can more precisely predict the failure conditions to develop new products, to enhance product performances, and most importantly, to save lives. This work consists of three parts corresponding to three different failure mechanisms in metals, i.e., the localized necking in sheet metals, the bifurcation in bulk and sheet metals, and the ductile fracture induced by the void nucleation, growth, and coalescence. The objective of the first part is to model the localized necking in anisotropic sheet metals to demonstrate that localized geometric softening at a certain stage of deformation rather than the initial defects is the main cause of localized necking. The sheet is assumed to have no initial geometric defects. The deformation process is divided into two stages. The critical strains for a neck to form are obtained from a Considère-type criterion. The defect ratio at the neck formation is obtained using an energy-based approach. The neck evolution is considered. A novel failure criterion is proposed. Two types of necks are fond to be most competitive to cause material failure during continued deformation. The forming limit curves are hereby found to exhibit different characteristics in different region. The predicted forming limit curve for 2036-T4 aluminum is found to fit with the experimental results well. The sheet thickness, the strain hardening behavior, and plastic anisotropy are found to affect the sheet metal formability. More realistic yield criterions and strain hardening behaviors can be implemented into the proposed model. This part provides an alternative approach to modeling the localized necking in anisotropic sheet metals. The objective of the second part is to model the bifurcation in anisotropic bulk and sheet metals to couple plastic anisotropy and the strain hardening/softening behavior and also to identify different bifurcation modes in sheet metals. The material is assumed to exhibit a non-linear strain hardening/softening behavior and to obey the Hill-type Drucker-Prager yield criterion along with a non associated flow rule. The constitutive relations and the conditions for bifurcation in bulk and sheet metals are derived. The internal friction coefficient, plastic anisotropy, the terms introduced by the co-rotational stress rates, and the terms introduced by the stress resultant equilibrium are found to affect the onset of bifurcation. Two bifurcation modes are found to exist in sheet metals. More realistic material properties can be implemented into the proposed model. This part provides an applicable approach to modeling the bifurcation in anisotropic bulk and sheet metals. The objective of the third part is to derive the constitutive relations for porous metals using generalized Green’s functions to better understand the micromechanism of the ductile fracture in metals. The porous metals are assumed to consist of an isotropic, rigid-perfectly plastic matrix and numerous periodically distributed voids and to be subject to non-equal biaxial or triaxial extension. Two types of hollow cuboid RVEs are employed represent the typical properties of porous metals with cylindrical and spherical voids. The microscopic velocity fields are obtained using generalized Green’s functions. The constitutive relations are derived using the kinematic approach of the Hill-Mandel homogenization theory and the limit analysis theory. The macroscopic mean stress, the porosity, the unperturbed velocity field, and the void distribution anisotropy are found to affect the macroscopic effective stress and the microscopic effective rate of deformation field. The proposed model is found to provide a rigorous upper bound. More complicated matrix properties (e.g., plastic anisotropy) and void shapes can be implemented into the proposed model. This part provides an alternative approach to deriving the constitutive relations for porous metals.

Un modèle micromécanique est proposé pour une collection de zones cohésives insérées entre toutes les mailles d'une discrétisation de type éléments finis cohésifs-volumiques. Le principe de l'approche consiste à introduire un composite équivalent 'matrice-inclusions' comme une représentation de la discrétisation cohésive-volumique. Le modèle obtenu à l'aide de techniques d'homogénéisation (schéma de Hashin Shtrikman et approche de P. Ponte Castañeda) permet de décrire le comportement macroscopique élastique, fragile et ductile.Il est valable quel que soit le taux de triaxialité appliqué et la forme de la loi cohésive retenue, et permet de relier d'une façon explicite les propriétés macroscopiques du matériau aux différents paramètres cohésifs ainsi qu'à la densité de maillage.Un premier résultat est l'établissement d'un critère pratique permettant de définir les raideurs cohésives au regard de la souplesse additionnelle inhérente à l'utilisation des modèles de zones cohésives intrinsèques. L'extension du modèle au cas de la rupture fragile et ductile, permet d'obtenir d'autres critères pratiques pour calibrer les autres paramètres cohésifs (contrainte cohésive maximale, ouverture critique, énergie de fissuration, ...). L'utilisation couplée des critères obtenus permet une calibration inverse des paramètres de la loi cohésive en fonction des propriétés macroscopiques du matériau et de la taille de maillage. De fait il est possible de prédire un comportement homogène global indépendamment de la taille du maillage. / In this study a micromechanical model is proposed for a collection of cohesive zone models embedded between two each elements of a standard cohesive-volumetric finite element method. An equivalent 'matrix-inclusions' composite is proposed as a representation of the cohesive-volumetric discretization. The overall behaviour is obtained using homogenization approaches (Hashin Shtrikman scheme and the P. Ponte Castañeda approach). The derived model deals with elastic, brittle and ductile materials. It is available whatever the triaxiality loading rate and the shape of the cohesive law, and leads to direct relationships between the overall material properties and the local cohesive parameters and the mesh density.First, rigorous bounds on the normal and tangential cohesive stiffnesses are obtained leading to a suitable control of the inherent artificial elastic loss induced by intrinsic cohesive models. Second, theoretical criteria on damageable and ductile cohesive parameters are established (cohesive peak stress, critical separation, cohesive failure energy, ...). These criteria allow a practical calibration of the cohesive zone parameters as function of the overall material properties and the mesh length.The main interest of such calibration is its promising capacity to lead to a mesh-insensitive overall response in surface damage.

Le dioxyde d'uranium (UO2) est le combustible de référence pour les réacteurs nucléaires à eau pressurisée. Notre étude traite de la compréhension et de la modélisation du comportement mécanique, dans les domaines basse température (rupture fragile) et haute température (déformation viscoplastique), à l'échelle de la microstructure. Dans un premier temps est présentée une étude des propriétés géométriques des polycristaux en général et du polycristal d'UO2 en particulier. Nous montrons que nous pouvons reproduire des agrégats polycristallins réalistes et économes en nombre d'éléments. Pour améliorer les connaissances du comportement de ce matériau dans le domaine de rupture fragile, nous avons développé une méthode expérimentale permettant de mieux comprendre le phénomène de rupture fragile à l'échelle du grain. Nous montrons que la rupture est entièrement intragranulaire et que les plans {100} semblent être les plans préférentiels pour cette rupture. Les résultats expérimentaux obtenus sont directement utilisés pour formuler une loi de comportement de rupture fragile intragranulaire à l'échelle du cristal, utilisée ensuite dans des calculs de rupture fragile sur un polycristal tridimensionnel. Le calcul est réalisé en champ complet, donnant ainsi accès à l'amorçage et à la propagation de la fissure à travers les grains. Enfin, nous avons développé une modélisation du comportement de l'UO2 dans le domaine viscoplastique. Nous présentons tout d'abord une loi de comportement à l'échelle macroscopique qui inclut un effet de vieillissement par migration de défauts vers les dislocations. Dans un second temps, nous avons développé une loi de comportement de type plasticité cristalline adaptée à l'UO2, incluant les effets de rotation de réseau. Nous présentons des exemples de calculs sur polycristaux. / Uranium dioxide (UO2) is the reference fuel for pressurized water nuclear reactors. Our study deals with understanding and modeling of mechanical behavior at the microstructure scale at low temperatures (brittle fracture) and high temperature (viscoplastic strain). We have first studied the geometrical properties of polycrystals at large and of UO2 polycrystal more specifically. As of now, knowledge of this behavior in the brittle fracture range is limited. Consequently, we developed an experimental method which allows better understanding of brittle fracture phenomenon at grain scale. We show that fracture is fully intra-granular and {100} planes seem to be the most preferential cleavage planes. Experimental results are directly used to deduce constitutive equations of intra-granular brittle fracture at crystal scale. This behavior is then used in 3D polycrystal simulation of brittle fracture. The full field calculation gives access to the initiation of fracture and propagation of the crack through the grains. Finally, we developed a mechanical behavior model of UO2 in the viscoplastic range. We first present constitutive equations at macroscopic scale which accounts for an ageing process caused by migration of defects towards dislocations. Secondly, we have developed a crystal plasticity model which was fitted to UO2. This model includes the rotation of the crystal lattice. We present examples of polycrystalline simulations.

Le lois qui régissent le monde macroscopique ne s’appliquent pas toujours aux nanodomaines.<p>Beaucoup de problèmes sont rencontrés lors de micromanipulations. Ces problèmes nécessitent d’être étudiés afin de pouvoir concevoir et produire des outils performants en micromécanique. A l’´echelle microscopique,<p>les forces qui prédominent sont les forces de van derWaals, de capilarité et électrostatiques.<p>Ce travail a pour thème les forces électrostatiques car elles sont les moins étudiées.<p><p>Le but de ce projet est le développement d’un outil de simulation afin d’étudier les forces électrostatiques adhésives. Ce problème implique la compréhension de certains mécanismes comme l’électrification de contact. En pratique, le but sera de trouver des solutions pour contrôler les forces électrostatiques lors de la conception de micromanipulateurs et de développer des stratégies pour la micromanipulation. Ceci est possible grâce à un outil de simulation et à l’étude de la littérature. La particularité<p>des simulations repose sur la prise en compte des paramètres de rugosité grâce à l’utilisation de la<p>fonction fractale de Weierstrass-Mandelbrot.<p><p>La première partie est dédiée à la revue de la littérature afin de comprendre les principes fondamentaux de l’électrostatique, les applications, et de répertorier les modèles de prédiction existants. Un outil de simulations est présenté et validé dans la seconde partie ainsi que le choix de la représentation fractale de la rugosité. Enfin, un banc de mesures de nano-forces est présenté qui permet de valider<p>les resultats des simulations. / Doctorat en Sciences de l'ingénieur / info:eu-repo/semantics/nonPublished

Dans les réacteurs nucléaires à eau sous-pression, le combustible est constitué de pastilles d’oxyde d’uranium (UO2), dont le comportement ne peut être simulé qu'à travers une modélisation multi-échelles et multi-physiques, tenant compte à la fois de la thermo-mécanique et de la physico-chimie relative aux produits de fission. L’évolution récente des modèles et des moyens de calcul a permis de développer les simulations à l’échelle de la microstructure et d’accroitre les possibilités de couplage. Ce travail concerne le développement d'un modèle de comportement thermo-mécanique de l’UO2 à l’échelle du polycristal. Le comportement du VER est analysé en termes de réponse effective et de phénomènes de localisation. Nous nous intéressons notamment aux valeurs de pression hydrostatique, qui pilotent le transport des produits de fission. La robustesse des résultats obtenus en fonction du choix du maillage éléments finis est étudiée. Une série de calculs est présentée afin de trouver un compromis satisfaisant en termes de discrétisation pour une estimation correcte des contraintes locales. Une première étude propose de retrouver des mesures expérimentales de dé cohésion intergranulaire sur le combustible en introduisant des modèles de zones cohésives dans le VER. Afin d'analyser le comportement micromécanique de l’UO2 en irradiation, un chargement de type rampe de puissance est appliqué au polycristal. L’analyse des distributions locales de contraintes donne lieu à une discussion sur l’effet de l’incompatibilité intergranulaire sur le transport des produits de fission. / In Pressurized Water Reactors (PWR), fuel is generally composed of uranium dioxide pellets piled up within a zirconium tubular cladding. Modeling of the fuel behavior in nominal and accidental conditions requires multi-scale models in order to take into account both the thermo-mechanical behavior of the pellets and the effects of fission gases. Recent development of micromecanical tools of simulation has improved coupling possibilities. Our study proposes to set a full micromechanical model for uranium dioxide dealing with both mechanics and fission products transport at the scale of a polycristalline aggregate. Both the effective behavior of the RVE and stress localization effects are studied. Hydrostatic pressure, which directly controls the diffusion of fission gases, is given a particular focus. The numerical robustness of results is also debated in terms of mesh refinement. A series of simulations leads to a satisfying compromise between accuracy and calculation time. A study compares experimental measurement of intergranular crack opening and simulation results obtained using cohesive models. The micromecanical behavior of uranium dioxide during irradiation is analysed by submitting the polycristalline RVE to transient irradiation. The local stress distribution leads to a debate on the consequences of intergranular strain incompatibility on fission gases diffusion.

Les matériaux naturels tels que l'os et la nacre d’ormeau sont constitués de blocs de construction relativement faibles et présentent pourtant souvent des combinaisons remarquables de rigidité, de résistance à la rupture et de ténacité. Ces performances sont dues en grande partie à leurs architectures de brique et de mortier. De nombreux efforts sont consacrés à la duplication de ces principes dans les matériaux synthétiques. Toutefois, les progrès sont en grande partie basés sur des approches empiriques, qui prennent beaucoup de temps et ne garantissent pas la réalisation optimale.La modélisation est une alternative attrayante pour guider la conception et les voies de traitement de ces matériaux. Dans ce travail, nous développons un modèle numérique basé sur la méthode des éléments discrets (DEM) pour comprendre les mécanismes de renforcement et optimiser les propriétés mécaniques des matériaux de type nacre en fonction de leurs paramètres microstructurales. Le modèle suit l’évolution de la fissure, prend en compte de différents mécanismes de renforcement et évalue quantitativement la rigidité, la résistance à la rupture et la ténacité. Une approche intéressante, basée sur l'imagerie EBSD, est présentée pour modéliser le matériau réel et ses différentes variations microstructurales. Les résultats sont ensuite combinés pour fournir des directives de conception pour les composites synthétiques de type brique et mortier comprenant uniquement des constituants fragiles. / Natural materials such as bone and the nacre of some seashells are made of relatively weak building blocks and yet often exhibit remarkable combinations of stiffness, strength, and toughness. Such performances are due in large part to their brick and mortar architectures. Many efforts are devoted to translate these design principles into synthetic materials. However, much of the progress is based on trial-and-error approaches, which are time consuming and do not guarantee that an optimum is achieved.Modeling is an appealing alternative to guide the design and processing routes of such materials. In this work, we develop a numerical model based on Discrete Element Method (DEM) to understand the reinforcement mechanisms and optimize the mechanical properties of nacre-like materials based on their microstructural parameters. The model follows the crack propagation, accounts for different reinforcement mechanisms, and quantitatively assess stiffness, strength, and toughness. An interesting approach, based on EBSD imaging, is presented to model the real material and its different microstructural variations. Results are then combined to provide design guidelines for synthetic brick-and-mortar composites comprising with only brittle constituents.

<p>Flotation is a critical operation in the isolation of valuable minerals from natural ore. Before flotation, chemical collectors are routinely added to ground ore slurries. Collectors selectively bind to mineral-rich particles, increasing their hydrophobicity thus promoting selective flotation. Conventional collectors are small surfactants with a short hydrocarbon tail (2-6 carbons) and a head group, such as xanthate. In this work, much larger hydrophobic polystyrene nanoparticles are evaluated as potential flotation collectors. Experiments involving both clean model mineral suspensions and complex ultramafic nickel ores confirm that conventional water-soluble molecular collectors could be partially or completely replaced by colloidal hydrophobic nanoparticle flotation collectors.</p> <p>The ability of nanoparticles to induce flotation has been demonstrated by floating hydrophilic, negatively charged glass beads with cationic polystyrene nanoparticle collectors. Mechanisms and key parameters such as nanoparticle hydrophobicity and nanoparticle adsorption density have been identified. Electrostatic attraction promotes the spontaneous deposition of the nanoparticles on the glass surfaces raising the effective contact angle to facilitate the adhesion of beads to air bubbles. The pull-off force required to detach a glass sphere from the air/water interface of a bubble into the water was measured by micromechanics. Coating with nanoparticles allows the beads to attach remarkably firmly on the air bubble. As little as 10% coverage of the bead surfaces with the most effective nanoparticles could promote high flotation efficiencies, whereas conventional molecular collector requires 25% or higher coverage for a good recovery. Contact angle measurements of modified glass surfaces with a series of nanoparticles that covered a range of surface energies were used to correlate the nanoparticle surface properties with their ability to promote flotation of glass beads. Factors influencing nanoparticle deposition on glass, such as nanoparticle dosage, nanoparticle size, conditioning time have been investigated with a quartz crystal microbalance (QCM). Deposition kinetics has been analyzed according to Langmuir kinetics model.</p> <p>Surface functionalized nanoparticles enhance the ability of nanoparticle collectors to selectively deposit onto surfaces of the desired mineral particles in the presence of gangue materials. Poly (styrene-co-vinylimidazole) based nanoparticle collectors have been developed to selectively deposit onto nickel mineral (pentlandite) in the presence of Mg/Si slime. Flotation tests of ultramafic nickel ores with these nanoparticle collectors have shown improvements in both pentlandite recovery and selectivity.</p> / Doctor of Philosophy (PhD)

Ultra-high temperature ceramics (UHTCs) are a class of materials that maintain their structural integrity at high temperatures, e.g. 2000 °C. They have been limited in their aerospace applications because of their relatively high density and the difficulty involved in forming them into complex shapes, like leading edges and inlets. Recent advanced processing techniques have made significant headway in addressing these challenges, where the introduction of multiscale porosity has resulted in lightweight UHTCs dubbed multiscale porous UHTCs. The effect of multiscale porosity on material properties must be characterized to enable design, but doing so experimentally can be costly, especially when attempting to replicate hypersonic flight conditions for relevant testing of selected candidate samples. As such, this dissertation seeks to computationally characterize the thermomechanical properties of multiscale porous UHTCs, specifically titanium diboride, and validate those results against experimental results so as to build confidence in the model. An implicit quasi-static variant of the Material Point Method (MPM) is developed, whose capabilities include intrinsic treatment of large deformations and contact which are needed to capture the complex material behavior of the as-simulated porous UHTC microstructures. It is found that the MPM can successfully obtain the elastic thermomechanical properties of multiscale porous UHTCs over a wide range of temperatures. Furthermore, characterizations of post-elastic behavior are found to be qualitatively consistent with data obtained from uniaxial compression experiments and Brazilian disk experiments. / Doctor of Philosophy / This dissertation explores a class of materials called ultra-high temperature ceramics (UHTCs). These materials can sustain very high temperatures without degrading, and thus have the potential to be used on hypersonic aircraft which routinely experience high temperatures during flight. In lieu of performing experiments on physical UHTC specimens, one can perform a series of computer simulations to figure out how UHTCs behave under various conditions. This is done here, with a particular focus what happens when pores are introduced into UHTCs, thus rendering them more like a sponge than a solid block of material. Doing computer simulations instead of physical experiments is attractive because of the flexibility one has in a computational environment, as well as the significantly decreased cost associated with running a simulation vs. setting up and performing an experiment. This is especially true when considering challenging operating environments like those experienced by high-speed aircraft. The ultimate goal with this research is to develop a computational tool than can be used to design the ideal distribution of pores in UHTCs so that they can best perform their intended functions.

The current state of the art in structural health monitoring is primarily reliant on sensing deformation of structures at discrete locations using sensors and detecting damage using techniques such as X-ray, microCT, acoustic emission, impedance methods etc., primarily employed at specified intervals of service life. There is a need to develop materials and structures with self-sensing capabilities such that deformation and damage state can be identified in-situ real time. In the current work, the inherent deformation and damage sensing capabilities of carbon nanotube (CNT) based nanocomposites are explored starting from the nanoscale electron hopping mechanism to effective macroscale piezoresistive response through finite elements based computational micromechanics techniques. The evolution of nanoscale conductive electron hopping pathways which leads to nanocomposite piezoresistivity is studied in detail along with its evolution under applied deformations. The nanoscale piezoresistive response is used to evaluate macroscale nanocomposite response by using analytical micromechanics methods. The effective piezoresistive response, obtained in terms of macroscale effective gauge factors, is shown to predict the experimentally obtained gauge factors published in the literature within reasonable tolerance. In addition, the effect of imperfect interface between the CNTs and the polymer matrix on the mechanical and piezoresistive properties is studied using coupled electromechanical cohesive zone modeling. It is observed that the interfacial separation and damage at the nanoscale leads to a larger nanocomposite irreversible piezoresistive response under monotonic and cyclic loading because of interfacial damage accumulation. As a sample application, the CNT-polymer nanocomposites are used as a binding medium for polycrystalline energetic materials where the nanocomposite binder piezoresistivity is exploited to provide inherent deformation and damage sensing. The nanocomposite binder medium is modeled using electromechanical cohesive zones with properties obtained through the Mori-Tanaka method allowing for different local CNT volume fractions and orientations. Finally, the traditional implementation of Material Point Method (MPM) is extended for composite problems with large deformation (e.g. large strain nanocomposite sensors with elastomer matrix) allowing for interfacial discontinuities appropriately. Overall, the current work evaluates nanocomposite piezoresistivity using a multiscale modeling framework and emphasizes through a sample application that nanocomposite piezoresistivity can be exploited for inherent sensing in materials. / Ph. D.

La plupart des digues sont constituées de matériaux granulaires compactés. Elles sont ainsi perméables et constamment soumises à des écoulements d’eau dans leur volume. Dans certaines conditions, ces écoulements peuvent altérer leur microstructure par érosion interne et générer des instabilités mécaniques responsables de ruptures inopinées lors de crues. Cette thèse s’intéresse à l’analyse multi-échelle des instabilités mécaniques dans les matériaux granulaires soumis à l'érosion interne. Dans ce travail, le comportement mécanique de ces matériaux est simulé en 3D à l’échelle de volumes élémentaires représentatifs, et ce, pour différents états de contraintes et gradients hydrauliques. Grâce à l’utilisation du critère du travail du second ordre et d’outils micromécaniques, leur stabilité est analysée avant et après l’application d’un écoulement interne. Il est établi que l’origine micro-inertielle des instabilités observées provient du déconfinement et de la flexion des chaînes de force ainsi que des déformations plastiques importantes résultant de leur effondrement. Par leur capacité à enrayer rapidement le développement de telles déformations plastiques, il est montré que les particules libres contribuent à assurer la stabilité mécanique des matériaux granulaires. Ce résultat est fondamental pour analyser les conséquences de l’érosion interne en termes de stabilité mécanique car les particules libres sont facilement transportables sous l’action d’un écoulement interne. Selon si elles sont colmatées ou érodées, un écoulement interne aura un effet stabilisateur ou déstabilisateur vis-à-vis du comportement mécanique des matériaux granulaires soumis à l’érosion interne / Dikes are most of the time built of compacted granular materials that are permeable and continuously subjected to internal fluid flows. In some cases, microstructure modifications resulting from internal erosion generate mechanical instability that will lead to unexpected failures in case of serious flooding. This thesis focuses on multi-scale analysis of mechanical instability in granular materials subjected to internal erosion. In this work, the mechanical behavior of such materials is simulated in three dimensions at the scale of representative elementary volumes subjected to different stress states and hydraulic gradients. Thanks to the use of the second order work criterion and micromechanical tools, the mechanical stability of these materials is tested before and after internal erosion. It is established that the micro-inertial origin of the observed instabilities is linked to force chain deconfinement and bending as well as to the development of large plastic strains resulting from force chain collapse. By preventing the development of such plastic strains, it is shown that rattlers contribute to ensure the mechanical stability of granular materials. This key finding is of a particular significance in relation with internal erosion as rattlers can be easily transported under the action of an internal fluid flow. Depending on whether they get clogged or eroded, an internal fluid flow has thus either a stabilizing or a destabilizing effect on the mechanical behavior of granular materials subjected to internal erosion