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.
Modeling of water ingression in a severe accident by separate effect testing
Nuclear energy is one of the pillars of the energy transition due to its low carbon footprint. It requires advanced safety studies, particularly regarding hypothetical severe nuclear accidents. These scenarios involve core meltdown and the formation of corium (molten radioactive material magma). Understanding corium behavior is a key element of nuclear safety.
At IRESNE institute of CEA Cadarache, the MERELAVA facility studies accident mitigation strategies by spraying water onto corium from above. A prototypical corium bath (containing depleted uranium) is cooled by water spraying under realistic conditions. This setup allows the study of complex interactions between corium, water, and the sacrificial concrete beneath.
In this context, the water ingression phenomenon plays a central role in corium cooling. During spraying, the solidified crust cracks, water seeps into the cracks and evaporates, significantly increasing the extracted heat flux compared to conduction alone. However, current models poorly describe this mechanism and struggle to predict its impact, mainly due to its highly multi-physical nature.
This thesis aims to study ingression through dedicated experiments on MERELAVA, to characterize the crust and to measure the ingression flux using 3D-printed representative matrices. The goal is to improve the existing physical model, with results compared to more complex experimental data. The thesis will primarily take place in the Severe Accidents experimental laboratory of the IRESNE institute. The candidate should have expertise in fluid mechanics and heat and mass transfer.
Lightweight and high-strength metamaterials with innovative architectures manufactured by additive manufacturing for constrained environments
Environmental constraints, rising raw material costs, and the need to reduce carbon footprints drive the development of more porous materials that combine lightness with mechanical strength. Such materials meet the requirements of strategic sectors including aerospace, space, transportation, energy, and high-performance physics instruments.
Mechanical metamaterials, composed of micro-lattice structures produced by 3D printing, offer a unique potential to address these challenges. By tailoring the topology of their internal networks, it becomes possible to achieve stiffness-to-density ratios higher than those of conventional materials and to adapt their architecture to target specific mechanical or functional properties.
This thesis is part of this wave of innovation. It aims to develop ultralight metallic metamaterials whose architecture is optimized to maximize mechanical performance while maintaining isotropy, ensuring predictable behavior using conventional engineering tools, including finite element analysis, numerical simulation, and multiscale approaches. The research builds on the recognized expertise of the CEA, particularly at IRAMIS and IRFU/DIS, in designing isotropic random metastructures and shaping them through metal additive manufacturing.
By combining numerical mechanics, advanced design, multi-process additive manufacturing, and in situ characterization, this thesis seeks to push the current limits of design and fabrication of complex metallic structures.
Study of new concepts for miniaturizable and parallelizable liquid-liquid extractors
In the process of developing procedures, their miniaturization represents a major challenge for upstream research and development (R&D). Indeed, the miniaturization of procedures offers numerous advantages in terms of reducing the volume of raw materials, waste management, screening possibilities, automation, and safety for personnel.
To date, the counter-current liquid-liquid extraction process does not have a convincing miniaturization solution, although the applications are numerous: in pharmacy, chemical synthesis, nuclear, or nuclear medicine.
The CEA-ISEC in Marcoule has developed new microfluidic tools to perform these operations in a simple and operational manner, based on a fine understanding of the instabilities of two-phase flows in capillaries.
This 3-year study topic proposes:
- To experiment, understand, and finely model the flows and mass transfers;
- To optimize and then transpose the phenomena to industrially significant volumes;
- To publish and participate in international conferences.
The doctoral student will benefit from learning about the world of research in a team that values quality in the supervision and future of its doctoral students, in a multidisciplinary team ranging from process engineering to instrumentation, with projects ranging from research to industry.
General competencies in chemical engineering and mass transfer are required. Competencies in collaborating with our academic partners will be essential to the success of the study project.
Towards automated and reconfigurable microfluidic platforms for the study and development of nuclear fuel recycling processes
The main objective of this PhD project is the design and development of the first automatic and reconfigurable microfluidic platform dedicated to research and development on the nuclear fuel cycle. In a context where mastering nuclear processes remains a key challenge, both for energy production and for the sustainable management of nuclear materials, microfluidic devices represent a particularly promising approach. These autonomous laboratories on a chip have already demonstrated their potential in various fields, such as chemistry, materials science, and biology. Their application to nuclear processes would help reduce radiation exposure risks, minimize waste generation, and optimize resources by enabling a larger number of experiments to be performed safely, quickly, and reproducibly. For about a decade, the DMRC has been conducting phenomenological studies on the main stages of the nuclear process (dissolution, solvent extraction, precipitation, etc.) using microfluidic devices. In parallel, it has developed PhLoCs (Photonic-Lab-on-Chips), which allow the miniaturization of several analytical techniques (UV-Vis spectroscopy, LES, holography, etc.) and their integration for online monitoring of the investigated phenomena. Nevertheless, no truly autonomous and fully automated platform currently exists that combines process execution with integrated analytical monitoring.
The aim of this PhD work is therefore to make a decisive step by designing a modular device where several functional chips can be assembled, some dedicated to process operations (e.g., uranium/plutonium separation) and others to online measurements, within a flexible configuration adapted to nuclear environments. In addition, the research will focus on integrating new instrumental techniques directly on chips, such as FTIR and UV-Vis-NIR spectroscopies, which are crucial for studying critical process steps, including solvent degradation. This project thus aims to establish the foundations of next-generation microfluidic platforms that combine safety, modularity, and performance to advance nuclear fuel cycle research. At the end of the PhD, the candidate will have developed unique expertise in microfluidics applied to nuclear processes, combining optical instrumentation and automation. These skills will offer strong career opportunities in research and advanced process engineering.
Design and Optimisation of an innovative process for CO2 capture
A 2023 survey found that two-thirds of the young French adults take into account the climate impact of companies’ emissions when looking for a job. But why stop there when you could actually pick a job whose goal is to reduce such impacts? The Laboratory for Process Simulation and System analysis invites you to pursue a PhD aiming at designing and optimizing a process for CO2 capture from industrial waste gas. One of the key novelties of this project consists in using a set of operating conditions for the process that is different from those commonly used by industries. We believe that under such conditions the process requires less energy to operate. Further, another innovation aspect is the possibility of thermal coupling with an industrial facility.
The research will be carried out in collaboration with CEA Saclay and the Laboratory of Chemical Engineering (LGC) in Toulouse. First, a numerical study via simulations will be conducted, using a process simulation software (ProSIM). Afterwards, the student will explore and propose different options to minimize process energy consumption. Simulation results will be validated experimentally at the LGC, where he will be responsible for devising and running experiments to gather data for the absorption and desorption steps.
If you are passionate about Process Engineering and want to pursue a scientifically stimulating PhD, do apply and join our team!
Turbulence synthetization methods in porous media from detailed simulations for multi-scale simulations of nuclear cores
The production of electricity through nuclear energy plays a crucial role in the energy transition due to its low carbon impact. To continuously improve safety and performance, it is essential to develop new knowledge and tools.
The core of a nuclear reactor consists of thousands of fuel rods traversed by a turbulent flow. This flow can cause vibrations, leading to wear. Two flow scales are identified: a local scale, where the fluid interacts with the rods, and a global scale, representing the flow distribution within the core. The local scale requires CFD simulations and fluid-structure coupling, while the global scale can be modeled using averaged approaches, such as porous media simulations.
Coupled fluid-structure interaction (FSI) simulations at the CFD scale are limited to small domains. To overcome this limitation, multi-scale approaches are required, combining large-scale porous media simulations and detailed small-scale CFD simulations. The goal of the thesis is to develop methods for synthesizing turbulence from the results of porous media simulations to improve boundary conditions for CFD simulations. The candidate will first study how existing turbulence models can provide details on turbulent flow at the component scale, and then how to synthesize turbulence for local CFD simulations.
This PhD project is the subject of a collaboration between the IRESNE Institute (CEA) and the ASNR (main execution site of the thesis) in Cadarache. Funding is provided by a MSCA Doctoral Network. The PhD student will be integrated into a network of 17 PhD students. To be eligible, the candidate must have resided no more than 12 months in the last 36 months in France.