Numerical aand experimental study of nuclear fuel cracking and oxyde-cladding delamination
Sans objet.
Sans objet.
The trade-off between performance, aging, and safety remains a major challenge for Li-ion batteries [1]. Indeed, the incorporation of certain additives into the 3rd-generation electrolyte aims to delay or reduce the consequences of thermal runaway, thus reducing the risk of fire or explosion. However, this approach can have negative effects on other key parameters, such as ionic conductivity [2,3]. Therefore, this thesis proposes to study the coupled effects of these additives in order to better understand and potentially predict their impact on each of these indicators.
At the beginning of this work, an additive will be selected to study its role in an NMC 811/Gr-Si chemistry and a 3rd-generation liquid electrolyte, in terms of performance, long-term stability, and safety. The additive will be chosen based on the state of the art and post-mortem analysis of commercial cells representative of the current market. In parallel, new commercial cells of a few Ah will be used. These will be equipped with a reference electrode, internal temperature measurement, and ionic conductivity monitoring. The cells will then be activated with the selected electrolyte at different additive concentrations. Electrochemical performance, along with chemical and morphological characterization of the materials present, will be studied. Key safety parameters (thermal stability, release of reducing gases, O2, released energy, flammability of the electrolyte) for these new cells will be measured at different additive concentrations. The internal instrumentation, including the reference electrode, will also be used innovatively to study the onset of thermal runaway under these conditions.
A full aging campaign will be conducted over a maximum period of one year. At regular intervals, a sample of cells will be studied to characterize the impact of aging on chemical, electrochemical, and morphological changes, as well as on key safety parameters. The most important mechanisms, along with simplified laws governing safety as a function of additive quantity and aging, will be proposed.
[1] Batteries Open Access Volume 9, Issue 8, August 2023, Article number 427
[2] Journal of Energy Storage 72 (2023) 108493
[3] Energy Storage Materials 65 (2024) 10313
Thermal runaway (TR) of a battery pack's elementary accumulator is a key factor that can lead to various safety issues, such as fires or explosions, involving both property and people. Several safety devices can prevent and/or mitigate the consequences of thermal runaway, including the PTC (Positive Temperature Coefficient) to limit short-circuit current, the CID (Current Interrupt Device) to disconnect the external electrical terminals from the internal active elements, and the Safety Vent for cell depressurization. Internal gas pressure is the main triggering factor. However, since the gas quantity strongly depends on the chemistry involved, these safety devices should be optimized for future battery generations.
In this PhD thesis, we will develop a methodology for sizing these safety devices through numerical simulations, incorporating all characterizations from the material scale to abusive cell testing. This research will therefore focus on both numerical and experimental aspects in parallel, in collaboration with other laboratories in our department
CEA is currently carrying out R&D studies to assess the potential of Additive Manufacturing (AM) processes using wire deposition (WAAM and WLAM) for 316L steel, a material used in the manufacture of a large number of components. These processes are similar to the welding techniques currently used in the manufacture and repair of parts for the nuclear industry. Microstructures with a strong crystallographic texture are often obtained after welding or additive manufacturing, leading to highly anisotropic mechanical behaviors, and the prediction of these microstructures is also a key element in ensuring the reliability of non-destructive testing of parts manufactured in this way.
The aim of the thesis, which will be based on a coupled experimental/simulation approach, is to gain a better understanding of the main physical phenomena involved in solidification, in particular grain growth.
To this end, an original approach to characterizing these phenomena will be conducted on the basis of an innovative instrumented test, with the aim of obtaining a high-resolution quasi-3D view of the molten zone during solidification. The results of the experimental approach will enrich the physical models of solidification, already implemented in a 3D CA-FE (Cellular Automaton-Finite Element) model, combining a Cellular Automata (CA) approach and thermal or multiphysics modeling (FE) of the molten bath, to simulate the solidification microstructures resulting from additive manufacturing and welding processes.
In pressurized water nuclear reactors, the core components are exposed to both corrosion in the primary medium, pressurized water at around 150 bar and 300°C, and to neutron flux. The stainless steels in the core are damaged by a combination of neutron bombardment and corrosion. In addition, radiolysis of the water can have an impact on the mechanisms and kinetics of corrosion, the reactivity of the medium and, a priori, the mechanisms and kinetics of hydrogen absorption by these materials. This last point, which has not yet been studied, may prove problematic, as hydrogen in solid solution in steel can lead to changes in (and degradation of) the mechanical properties of the steel and induce premature cracking of the part. This highly experimental thesis will focus on the study of the impact of radiolysis phenomena on the corrosion and hydrogen uptake mechanisms of a 316L stainless steel exposed to the primary medium under irradiation. Hydrogen will be traced by deuterium, and neutron irradiation simulated by electron irradiation on particle accelerators. An existing permeation cell will be modified to allow in operando measurement by mass spectrometry of the deuterium permeation flux through a sample exposed to the simulated primary water under radiolysis conditions. The distribution of hydrogen in the material, as well as the nature of the oxide layers formed, will be analysed in detail using state-of-the-art techniques available at the CEA and in partner laboratories. The doctoral student will ultimately be required to (i) identify the mechanisms involved (corrosion and hydrogen entry), (ii) estimate their kinetics and (iii) model the evolution of hydrogen flux in the steel in connection with radiolysis activity.
Research into additive manufacturing for the nuclear industry shows that the production of 316L austenitic steel components using laser powder bed fusion (L-PBF) presents technical challenges, including process control, material properties, qualification and prediction of mechanical behaviour under service conditions. The final properties differ from traditional processes, often exhibiting anisotropy that challenges existing design standards.
These differences are linked to the unique microstructure resulting from the L-PBF process. Controlling the manufacturing chain, from consolidation to qualification, requires an understanding of the interactions between process parameters, microstructure and mechanical properties.
The aim of this thesis is to study the relationships between the microstructure, texture and mechanical properties of 316L steel manufactured by the L-PBF process, under static or cyclic loading. This includes the influence on creep and fatigue properties, and the development of a model to predict mechanical behaviour. Using samples of 316L steel with specific microstructures consolidated by L-PBF, the proposed study aims to establish links between microstructure and mechanical properties to better predict in-service behaviour.
This thesis focuses on the analysis of hydrogen safety in industries, particularly in cases of accidents where hydrogen is released or generated, such as in nuclear power plants. The interest in hydrogen safety has increased with the use of fuel cells for mobility. In compartmentalized buildings, flammable atmospheres can form, leading to explosions that compromise safety. Flame dynamics are influenced by boundary conditions, especially confined geometries that accelerate the flames. This phenomenon can result in a deflagration-to-detonation transition, causing significant damage to structures through shock waves and combustion waves. Research shows that certain geometric configurations and hydrogen mixtures produce higher pressures, even with low hydrogen concentrations. Three key questions are raised: the influence of geometry on pressure and impulse, the optimal hydrogen concentration, and the possibility of mitigating these effects with sound-absorbing coatings. To answer these questions, experiments and simulations will be conducted to understand and model these phenomena, providing practical tools for safety engineers.
The fuel rods of pressurized water nuclear reactors are made of uranium oxide pellets stacked in zirconium alloy tubes. In reactor, these materials undergo mechanical loading that lead to their irreversible deformation. In order to guarantee the safety and increase the performance of nuclear reactors, this deformation must be modeled and predicted as precisely as possible. In order to further improve the predictivity of the models, the polycrystalline nature of these materials as well as the physical deformation mechanisms must be taken into account. This is the objective of this study, which consists of developing a physically based multi-scale numerical model of the fuel rod cladding.
The mechanical behavior of metallic materials is usually modeled by considering the material as homogeneous. In fact metallic materials are made of many crystalline grains clustered together. The behavior of the material is therefore the result of the deformation of individual grains but also their interactions between each other. In order to take into account the polycrystalline nature of the material, mean-field self-consistent polycrystalline models have been developed for many years. These models are based on the theory of homogenization of heterogeneous materials. Recently, a polycrystalline model, developed in a linear and isothermal framework, has been coupled with an axisymmetric 1D finite element calculation to simulate the in-reactor deformation of cladding tubes. A complex mechanical loading history, mimicking the stresses and strains experienced by the cladding has been simulated.
The objective of this PhD work is to extend the field of application of this model in particular by applying it to a non-linear framework in order to simulate high stress loadings, to extend it to anisothermal conditions but also to carry out 3D finite element simulations with at each element and each time step a simulation using the polycrystalline model. These theoretical and numerical developments will finally be applied to the simulation of the behavior of fuel rods in a power ramp situation thanks to its integration into a software platform used for industrial applications. This approach will allow to better assess the margins available to operate the reactor in a more flexible manner, allowing it to adapt to changes in the energy mix in complete safety.
Thermally activated glide of dislocation is a key point for understanding the plastic deformation of metals. The screw dislocation in bcc metals is an archetypical case for which a large quantity of experimental data has been published in the scientific literature. It is then possible to compare these data to the theoretical predictions realized from the Vineyard statistical theory [1,2]. Such a theory is an essential tool allowing to perform a scale transition from atomistic computations toward macroscopic scale at which are realized the deformation tests.
The aim of our research will be to test Vineyard theory in comparison with molecular dynamics simulations [3]. Some preliminary computations have shown a significant discrepancy that is not present when we repeat the comparison for point-like defect as vacancies or self-interstitial atoms.
[1] Vineyard G.H., J. Phys. Chem. Solids 3, 121 (1957).
[2] Proville L., Rodney D., Marinica M-C., Nature Mater. 11, 845 (2012).
[3] Proville L., Choudhury A., Nature Mater. 23, 47 (2024).
Steam generators are essential components of nuclear reactors whose main function is heat exchange. The chemical species present in steam generators are the cause of many parasitic phenomena (clogging, fouling, sludge deposition, etc.). Numerical simulation of species transport, taking into account the migration of chemical species and exchanges between species, both intra- and inter-phase, will allow a better understanding and better management of these problems. Numerical resolution of species transport systems presents real difficulties, in particular the management of the appearance and total disappearance of certain species, high void rates, as well as rapidly excessive calculation times.
While relying on the new code for nuclear components developed at STMF, the thesis will address the following three main scientific issues:
• Upstream, the analysis of numerical methods allowing in particular the management of evanescence, as mentioned above, and thermo-hydraulic modeling at high void rates. For this, we will rely on the PolyMAC and PolyVEF numerical schemes, already implemented in the component code.
• The physical modeling of a steam generator in the new component code, via the addition (in C++) of correlations specific to steam generators, the completion of the state laws already available, etc..
• The determination of the major chemical species to be transported, in order to be able to take into account both thermo-hydraulics and chemistry. The algorithmic coupling between thermo-hydraulics and chemistry, taking into account feedback, being the long-term objective.
While benefiting from the existing parallelization of the component code, the thermo-hydraulic and chemical modeling will be done taking into account the constraints on computation times.