Assessment of new models for the investigation of hypothetical accidents in GEN4 fast reactors.
Multi-component two-phase flows in conjunction with fluid-structure interaction (FSI) problems can occur in a very large variety of engineering applications; amongst them, the hypothetical severe accidents postulated in Generation IV sodium and lead fast-breeder reactors (respectively SFR and LFR).
In SFRs, the worst postulated severe accident is the so-called hypothetical core disruptive accident (HCDA), in which the partial melt of the core of the reactor interacts with the surrounding sodium and creates a high-pressure gas bubble, the expansion of which generates shock waves and is responsible of the motion of liquid sodium, thus eventually damaging internal and surrounding structures.
The LFR presents the advantage that, unlike sodium, lead does not chemically react with air and water and, therefore, is explosion-proof and fire-safe. On the one hand, this allows a steam generator inside the primary coolant. On the other hand, the so-called steam generator tube ruptures (SGTR) should be investigated to guarantee that, in the case of this hypothetical accident the structure integrity is preserved. In the first stage of a SGTR, it is supposed that the steam-generator high-pressure high-temperature water penetrates inside the primary containment, thus generating a BLEVE (boiling liquid expanding vapor explosion) with the same behavior and consequences as the high-pressure gas bubble of a HCDA.
In both HCDA and STGR, there are situations in which the multi-component two-phase flows is in low Mach number regime which, when studied with classical compressible solver, presents problems of loss of accuracy and efficiency. The purpose of this PhD is
* to design a multiphase solver, accurate and robust, to investigate HCDA STGR scenarios.
* to design a low Mach number approach for bubble expansion problem, based on the artificial compressibility method presented in the recent paper "Beccantini et al., Computer and fluids 2024".
The aspect FSI will be also taken into account.
Simulation of flow in centrifugal extractors: the impact of viscous solvents on operation
Within the framework of nuclear spent fuel reprocessing, the CEA co-developed with ROUSSELET-ROBATEL liquid/liquid extraction (ELL) devices aimed at bringing two immiscible liquids into contact, one of which contains the valuable metals to be recovered and the other an extractant molecule. The multi-stage Centrifugal Extractor is one of the devices used to perform ELL at the La Hague plant. The future use of solvents potentially more viscous than current industrial standards may pose performance issues that need to be studied in advance in the laboratory to provide the necessary recommendations to restore the expected performance levels for the plant. The nuclear environment in which these devices operate makes in situ studies nearly impossible, thus depriving R&D of valuable information that is nevertheless essential for a deep understanding of the physicochemical mechanisms at the heart of the issues involved. To address this, the proposed study will rely on a numerical approach that will have been previously validated by comparison with either historical experimental data or data acquired from more recent ad hoc pilot systems. Thus, following a phase of literature review and capitalization of recent measurements, it is proposed to first create test cases that will be used to validate the numerical models. Based on this validation and in light of the knowledge acquired from previous theses concerning the effect of viscosity on flows, it is proposed to numerically explore the impact of an increase in solvent viscosity on centrifugal extractors. This will pave the way for a better understanding of the operation of the devices as well as operational or geometric improvements. The student will work at CEA Marcoule, in a research environment at the crossroads between a team of experimentalists and a team of numerical simulators. This experience will enable the student to acquire important skills in modeling liquid-liquid flows as well as solid knowledge on the development of liquid-liquid contactors.
Towards a new iterative approach for the efficient modeling of mechanical contact
As part of the modeling and simulation of nuclear fuel behavior across different reactor types, the Institute for Research on Nuclear Energy Systems for Low-Carbon Energy Production (IRESNE) at CEA Cadarache, in partnership with various industrial and academic stakeholders, is developing the PLEIADES software platform for fuel behavior simulation. In this context, the interaction between the fuel and its cladding, the first containment barrier, is a key phenomenon for understanding and predicting the behavior of fuel elements.
The modeling and numerical simulation of mechanical contact phenomena represent a major scientific and technological challenge in solid mechanics, due to the intrinsic complexity of the problem, characterized by its highly nonlinear and non-smooth nature.
To overcome the limitations of classical approaches, such as the penalty or Lagrange multiplier methods, new contact resolution strategies based on iterative fixed-point schemes are currently being explored at the CEA. These approaches offer several advantages: they avoid the direct solution of complex and ill-conditioned systems, significantly improve numerical efficiency, and exhibit very low sensitivity to algorithmic parameters, making them particularly well suited for high-performance computing (HPC) environments.
The objective of this PhD work is to extend these strategies to more complex and realistic situations, by taking into account nonlinear material behaviors and incorporating more sophisticated contact laws, such as friction. Depending on the progress of the work, the final phase will focus on transferring the developments to a high-performance computing (HPC) environment, using a parallel finite element solver.
The project will benefit from internationally recognized expertise in mechanics, applied mathematics, and nuclear fuel simulation, with supervision from CEA researchers and additional academic collaborations (CNRS).
[1] P. Wriggers, "Computational Contact Mechanics", Springer, 2006. doi:10.1007/978-3-540-32609-0.
[2] V. Yastrebov, "Numerical Methods in Contact Mechanics", ISTE Ltd and John Wiley & Sons, 2013. doi: 10.1002/9781118647974
[3] I. Ramière and T. Helfer, “Iterative residual-based vector methods to accelerate fixed point iterations”, Computers & Mathematics with Applications, vol. 70, no. 9, pp. 2210–2226, 2015. doi: 10.1016/j.camwa.2015.08.025.
Mechanical behavior of fourth-generation Li-Ion cells, study at the microstructure scale
Competition to increase the energy density of Li-Ion batteries is leading to the consideration of batteries with solid rather than liquid electrolytes. In this regard, sulfur-based electrolytes such as argyrodites are of great interest due to their high ionic conductivity and mechanical properties allowing a simpler manufacturing. Under the effect of lithiation/delithiation cycles, the silicium active particles embedded within this solid electrolyte cause volume variations that can damage the electrode and reduced its lifetime. This is why batteries with solid sulfide electrolytes only cycle properly when kept under pressure. The objective of this thesis is therefore to model these charge-discharge phases pf the battery at the microstructure scale representative of these new solid electrolyte electrodes. At the silicon particle scale, the work will consist of formulating a lithiation-delithiation model based on previous theoretical work and by comparison with available experimental data. Then, 3D models of electrode microstructures consisting of an argyrodite-type solid electrolyte and silicon particles will be established based on existing characterizations (SEM images). Finally, the microscopic mechanical model of lithiation-delithiation will be integrated on these microstructure models, studying in particular the effects of external mechanical loading on the intensity of mechanical interactions at the microstructure scale and the potential locations of damage. These simulation results will be compared with available measurements (macroscopic and local deformation measurements).
These studies will be carried out at CEA Cadarache within the Institute for Research on Nuclear Systems for Low-Carbon Energy Production (IRESNE), in close collaboration with the teams of the Laboratory for Innovation in New Energy Technologies and Nanomaterials (LITEN) at CEA Grenoble.
This framework will allow the PhD student to evolve in a stimulating scientific environment and to promote their research work both in France and abroad through conferences and publications in peer-reviewed journals.
Simulation of crack initiation and propagation in random heterogeneous materials
This PhD thesis is concerned with cracking in nuclear fuels at the microstructure level, a phenomenon that is essential to understand in order to model the behavior of materials under irradiation. Indeed, crack initiation and propagation can lead to the release of fission gases and the formation of fragments inducing fissile matter displacement. Current industrials models are based on simplified representations of the porous microstructure and empirical fracture criteria, which limits their physical accuracy and validation by separate effects.
To overcome these limitations, the proposed thesis work consists of using multi-scale approaches and high-performance computing (HPC) finite element simulations. The main objectives are to define a Representative Volume Element (RVE) for crack initiation in materials with random porosity, improve the failure criteria used in legacy codes and define their uncertainties, and finally establish the domain of validity for analyzing crack propagation in the RVE.
The first line of research consists of rigorously defining the size of the RVE based on local physical variables such as the maximum principal stress. Variance reduction methods will be used to optimize the number of calculations required and estimate the associated errors.
In a second step, simulations performed to determine the RVE size will be used to improve industrial models. The approach will seek to separate the mechanical effects of an isolated bubble from those resulting from interactions between neighboring bubbles. Machine learning techniques may be used to develop this new model. Validation will be based on indirect measurements of cracking, such as gas release observed during thermal annealing, particularly for high burn-up structure (HBS) fuels, where legacy models fail to predict the kinetics of cracking.
Finally, crack propagation within the RVE will be studied using 3D phase field simulations, which allow for detailed representation of the various stages after the crack initiation. The influence of boundary conditions on the RVE will be examined by comparison with simulations on larger domains.
The thesis will be carried out at the Institute for Research on Nuclear Systems for Low-Carbon Energy Production (IRESNE) of the CEA Cadarache, within the PLEIADES platform development team, which is specialized in fuel behavior simulation and multiscale numerical methods. It will be conducted in collaboration with the CNRS/LMA as part of the MISTRAL joint laboratory, notably on aspects relating to the analysis of random medium representativeness and micromechanical simulation of crack propagation.
Study and Modelling of Tritium Speciation from the Outgassing of Tritiated Waste
Tritium, the radioactive isotope of hydrogen, is used as fuel for nuclear fusion, particularly in the ITER research reactor currently under construction in Cadarache (France). Its small size allows it to easily diffuse into materials, which will lead to the production of waste containing tritium after the operational phase of ITER.
To optimize the management of this tritiated waste, the CEA is developing technological solutions aimed at extracting and recycling tritium, as well as limiting its migration to the environment. The effectiveness of these solutions largely depends on the chemical form in which tritium is released. Experience from the outgassing of tritium from various types of waste indicates that it is released in two main chemical forms: tritiated hydrogen (HT) and tritiated water vapor (HTO), in varying proportions.
However, the mechanisms determining the distribution of tritium between these two species are not well understood. Several factors, such as oxygen and water concentrations, the nature and surface state of the waste, and the concentration of tritium, can influence this speciation.
The objectives of this thesis are as follows:
- To identify the phenomena affecting the speciation of tritium during the outgassing of tritiated waste.
- To conduct an experimental study to verify the proposed hypotheses.
- To develop a numerical model to predict the proportions of HT and HTO released, in order to optimize the management of this waste.
The thesis will be conducted within the IRESNE Institute (Institute for Research on Nuclear Systems for Low Carbon Energy Production) at the CEA site in Cadarache, in a laboratory specialised in tritium studies. The PhD candidate will work in a stimulating scientific environment and will have the opportunity to showcase their research work. The candidate must hold an engineering degree or a master’s degree in Chemical Engineering, Process Engineering, or Chemistry.
Effects of structural heterogeneities on air flow through reinforced concrete walls
The containment building represents the third barrier to confinement in nuclear power plants. Its role is to protect the environment in the event of a hypothetical accident by limiting releases to the outside. Its function is therefore closely linked to its tightness. Traditionally, the estimation of the leakage rate is based on a sound knowledge of transfer properties (such as permeability), combined with a chained (thermo-)hydro-mechanical simulation approach. While the mechanical behavior of the structure is now broadly well understood, progress is still needed in the comprehension and quantification of fluid flow. This is particularly true in the presence of heterogeneities (cracks, honeycombs, construction joints, reinforcements, cables, etc.), which represent situations that can locally disturb permeability. This is the context of the present PhD topic.
The work will consist, through a methodology combining experimental testing and numerical simulation, in improving the representation of fluid flow by explicitly accounting for the impact of heterogeneities. An initial analysis will define an experimental plan, which will then be carried out. The results will be analyzed in order to empirically characterize the influence of each type of heterogeneity tested on transfer properties. A simulation approach, exploiting the experimental findings, will then be developed using finite element and discrete methods. Finally, the applicability of the methodology to a real-scale structure will be assessed, while explicitly accounting for uncertainties regarding the presence and impact of such heterogeneities (probabilistic approach).The PhD will therefore rely on state-of-the-art experimental and numerical tools and methods, and will be conducted in a rich collaborative context (CEA, ASNR, EDF).