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A simplified model with only 2 degrees of freedom is developed for cavity growth along a grain-boundary by surface and grain-boundary diffusion following a similar model for a row of grains used by Sun et al, (1996). A variational principle for the coupled diffusion problem is used to follow the cavity growth. The approximate solution can be reduced to the well-established equilibrium cavity growth model at the fast surface diffusion extreme. By comparing the 2 degree of freedom model with the full finite element solution by Pan et al, (1997), a 'Validity Map' is constructed in terms of the relative diffusivity and applied stress relative to the capillarity stress. It is found that the simplified model accurately describes the evolution process, in terms of overall cavity profile and propagation rate for engineering alloys subject to normal levels of applied stresses. The 2 degree of freedom model for a single cavity was then extended to allow the modelling of multiple cavities. These cavities can be either pre-existing or nucleated during the lifetime of the system. The relative rotation between the grains is also considered. The initial 2 degrees of freedom were increased to six, and a cavity element has been derived. The cavity elements are assembled together using the classical finite element approach. This allows the evolution of multiple cavities and their interactions to be modelled under different applied loads and material parameters. This simplified multiple cavity finite element model was compared with a model for cavity evolution based on a 'smeared-out' approach. It was shown that the 'smeared-out' model does not accurately predict the creep damage for realistic engineering materials and conditions and results in an under prediction of creep lifetime. Using the simplified finite element model the effect of surface diffusion on the evolution of the creep damage was investigated. The evolution of a large pre-existing 'crack-like' cavity was modelled and the effects of nucleation, surface diffusion and loading were also investigated. It was shown that in the majority of cases as the surface diffusion was increased the rupture time was also increased. The results from the large 'crack-like' cavity simulations showed that there was very little crack propagation through the material and the smaller cavities tended to grow independently of the large 'crack-like' cavity.

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Mathematical models were developed to understand cavity growth mechanisms, heat and mass transfer in combination with chemical reaction, and the factors which affect gas production from an underground coal gasifier. A model for coal gasification in a one-dimensional spatial domain was developed and validated through comparison with experimental measurements of the pyrolysis of large coal particles and cylindrical coal blocks. The effects of changes in operating conditions and coal properties on cavity growth were quantified. It was found that the operating conditions which have the greatest impact on cavity growth are: temperature, water influx, pressure and gas composition, while the coal properties which have the greatest impact are: the thermo-mechanical behaviour of the coal, the coal composition and the thickness of the ash layer. Comparison of the model results with estimates from field scale trials, indicate that the model predicts growth rates with magnitudes comparable to those observed. Model results with respect to the effect of ash content, water influx and pressure are in agreement with trends observed in field trials. A computational fluid dynamics model for simulating the combined transport phenomena and chemical reaction in an underground coal gasification cavity has been developed. Simulations of a two-dimensional axi-symmetric cavity partially filled with an inert ash bed have shown that when the oxidant is injected from the bottom of the cavity, the fluid flow in the void space is dominated by a single buoyancy force due to temperature gradients established by the combustion of volatiles produced from the gasification of carbon at the cavity walls. Simulations in which the oxidant was injected from the top of the cavity reveal a weak fluid circulation due to the absence of strong buoyancy forces, leading to poor gasification performance. A channel model of gas production from underground coal gasification was developed, which incorporates a zero-dimensional cavity growth model and mass transfer due to natural convection. A model sensitivity study is presented and model simulations elucidate the effects of operating conditions and coal properties on gas production.

The development of high powered electro-magnetic devices has generated interest in the effect of combined electromagnetic and mechanical loading of such structures. Materials used in high-current applications – aluminum alloys and copper – are subjected to heat pulses of short duration (in the range of a few hundred microseconds to a few milliseconds); immediately following or along with such heat pulses, these materials are also subjected to large mechanical forces. In previous work reported in the literature, ejection of material from the vicinity of preexisting defects such as cracks, notches or discontinuities have been observed resulting from short-duration high-intensity current pulses; after a series of pulses, permanent deformation and weakening of intact material has also been reported. But a lack of complete understanding of the effects of short duration current pulses hinders the assessment of the reliability of such conductors in high energy applications. Therefore, an investigation was undertaken to examine the behavior of electromagnetically and mechanically loaded conductors. This work investigates the effects of short-duration, high-current-density pulses in combination with viii mechanical loading. The aim is to develop a theoretical model to describe the resulting mechanical response. The model is to provide a characterization of the possible effects of thermally-induced plastic strains on metals loaded beyond or just below their yield strength or below the critical stress intensity factor. In the experiments reported here, two types of specimens, undamaged and damaged, were subjected to combined electromechanical loads. Undamaged specimens were used to observe thermally-induced plastic strains - strains not caused by an increase in mechanical loading, but rather resulting from the reduction of yield strength and post-yield stiffness due to the increase in temperature. The experiments were conducted such that it would be possible to develop a model that would conclusively account for the observed material behavior. The second sets of specimens were weakened a priori by the introduction of a crack in order to study the influence of such crack-like defects on the electrical and mechanical fields, and to produce a safe design envelope with respect to the loading conditions. Failure was found to occur due to melting triggered by joule heating; a quantitative criterion based on current concentration and heat accumulation near the crack tip has been developed based on these experimental results. / text

The aim of this study is to develop a theoretical basis and to perform computational experiments for understanding the grain boundary (GB) grooving in polycrystalline thin film metallic conductors (interconnects) by anisotropic surface diffusion due to capillary, electromigration and elastostatic forces. To this end, irreversible thermo&ndash / kinetics of surfaces and interfaces with triple junction singularities is elaborated, and the resulting well-posed moving boundary value problem is solved using the front&ndash / tracking method. To simulate the strain conditions of the interconnects during service, the problem is addressed within the framework of isotropic linear elasticity in two dimensions (plane strain condition). In the formulation of stress induced surface diffusion, not only the contribution due to elastic strain energy density (ESED) but also that of the elastic dipole tensor interactions (EDTI) between the stress field and the mobile atomic species (monovacancies) is considered. In computation of the elastostatic and electrostatic fields the indirect boundary element method (IBEM) with constant and straight boundary elements is utilized. The resulted non&ndash / linear partial differential equation is solved numerically by Euler&rsquo / s method of finite differences. The dynamic computer simulation experiments identify well known GB groove shapes and shed light on their growing kinetics. They also allow generating some scenarios under several conditions regarding to the applied force fields and/or physicochemical parameters. The destruction of groove symmetry, termination of the groove penetration with isotropic surface diffusivity, ridge/slit formations with anisotropic diffusivity and the role played by the wetting parameter are all identified for electromigration conditions. The kinetics of accelerated groove deepening with an applied tensile stress is examined in connection with GB cavity growth models in the literature and a diffusive micro-crack formation is reported at the groove tip for high stresses. On the other hand, the use of EDTI provided a means to dynamically simulate GB ridges under compressive stress fields with surface diffusion. An incubation time for hillock growth and a crossover depth over which GB migration becomes energetically favorable is defined and discussed in this context.

Increasing energy demand leads to two crucial problems for the whole society. One is the economic cost and the other is the pollution of the environment, especially CO2 emissions. Despite efforts to adopt renewable energy sources, fossil fuels will continue to dominate. The temperature and stress are planned to be raised to 700 °C and 35 MPa respectively in the advanced ultra-supercritical (AUSC) power plants to improve the operating efficiency. However, the life of the components is limited by the properties of the materials. The aim of this thesis is to investigate the high temperature properties of materials used for future power plants. This thesis contains two parts. The first part is about developing creep rupture models for austenitic stainless steels. Grain boundary sliding (GBS) models have been proposed that can predict experimental results. Creep cavities are assumed to be generated at intersection of subboundaries with subboundary corners or particles on a sliding grain boundary, the so called double ledge model. For the first time a quantitative prediction of cavity nucleation for different types of commercial austenitic stainless steels has been made. For growth of creep cavities a new model for the interaction between the shape change of cavities and creep deformation has been proposed. In this constrained growth model, the affected zone around the cavities has been calculated with the help of FEM simulation. The new growth model can reproduce experimental cavity growth behavior quantitatively for different kinds of austenitic stainless steels. Based on the cavity nucleation models and the new growth models, the brittle creep rupture of austenitic stainless steels has been determined. By combing the brittle creep rupture with the ductile creep rupture models, the creep rupture strength of austenitic stainless steels has been predicted quantitatively. The accuracy of the creep rupture prediction can be improved significantly with combination of the two models. The second part of the thesis is on the fatigue properties of austenitic stainless steels and nickel based superalloys. Firstly, creep, low cycle fatigue (LCF) and creep-fatigue tests have been conducted for a modified HR3C (25Cr20NiNbN) austenitic stainless steel. The modified HR3C shows good LCF properties, but lower creep and creep-fatigue properties which may due to the low ductility of the material. Secondly, LCF properties of a nickel based superalloy Haynes 282 have been studied. Tests have been performed for a large ingot. The LCF properties of the core and rim positions did not show evident differences. Better LCF properties were observed when compared with two other low γ’ volume fraction nickel based superalloys. Metallography study results demonstrated that the failure mode of the material was transgranular. Both the initiation and growth of the fatigue cracks were transgranular. / <p>QC 20160905</p>

L’endommagement de fluage des aciers 316L(N) a été étudié expérimentalement et théoriquement à des températures élevées et des temps à rupture jusqu'à dix-neuf ans. Pour le fluage à court terme, les durées de vie sont correctement prédites par le modèle de striction en tenant compte de la dispersion expérimentale. Le modèle de Riedel couplant croissance de cavités par diffusion lacunaire et germination continue est utilisé afin de prédire l’effet de l’endommagement intergranulaire sur la durée de vie des aciers 316L(N). Les durées de vie sont correctement prédites par ce modèle pour le fluage à long terme quelle que soit l'acier austénitique étudié et la température appliquée (525°C-700°C). En tenant compte du régime de vitesse basse contrainte de la loi de Norton, le modèle de Riedel permet de prédire la durée de vie de fluage jusqu'à 25 ans. Aucun paramètre ajusté n’a été utilisé dans le modèle de Riedel. Mais le taux de nucléation de cavités doit être déduit des mesures de densité de cavités à partir des observations MEB-FEG. La cavitation se produit principalement aux interfaces carbures M23C6 /matrice austénitique. L'effet de l'hétérogénéité de la microstructure sur les concentrations de contraintes à l’interface matrice/précipité est simulé par la méthode des éléments finis (logiciel Cast3M). Elle vise à déterminer la distribution des champs de contraintes normales autour de précipités et à prédire numériquement le taux de nucléation de cavités. Les caractéristiques des précipités et le comportement en fluage de la matrice austénitique sont conjointement pris en compte. Les simulations numériques sont en accord avec les observations de sites préférentiels de micro-cavitation. / The creep fracture of 316L(N) austenitic SSs has been studied both experimentally and theoretically for high temperatures and lifetimes up to nineteen years. For short term creep, experimental lifetimes are predicted by the necking model taking into account scatter in input parameters. The Riedel modeling of cavity growth by vacancy diffusion along grain boundaries coupled with continuous nucleation is then carried out. Lifetimes are predicted fairly well using this model for long term creep failure whatever the considered austenitic SSs and the applied temperature (525°C - 700°C). Taking into account low and high stress regimes of the Norton-power law, the Riedel model allows us to predict the creep lifetimes in agreement with literature results up to 25 years. No fitted parameter has been used as applying the Riedel model. But the cavity nucleation rate should be deduced from cavity density measurements using FEG-SEM observations. The intergranular cavitation occurs mainly at M23C6 carbides / austenitic matrix interfaces. That is why the effect of the heterogeneity of the microstructure at the matrix/precipitate interface stress concentrations is simulated by the finite element method (Cast3M software). It aims to determine the distribution of normal stress fields around precipitates and to predict the cavity nucleation rate. The features of the precipitates and the creep behavior of the austenitic matrix are both taking into account. Numerical simulations are in agreement with the observations of preferential sites cavitation.