For high-performance, safe, and long-lasting batteries: understanding the role of an additive in liquid electrolytes
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
Numerical optimisation of internal safety devices of batterry cells depending on chemistry
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
Head-on Reflections of High-Speed Combustion Waves: Experimental and Numerical Investigation and Mitigation Measures.
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.
Development of a digital twin of industrial equipment: coupling chemistry / thermo-hydraulics / corrosion
This PhD subject is part of CEA R&D aimed at developing and improving decarbonized technologies for energy production, in response to climate issues. More specifically, it is part of the spent fuel reprocessing stage used in current nuclear reactors. The simulation of the operation and aging of this equipment is a major challenge for the sustainability of the activities of fuel reprocessing plants.
The objective of the thesis is to respond to these challenges, by developing a modeling of the corrosion of one or more equipments in the plants based on their operation. This will require coupling chemical reaction models (in solution and corrosion) with thermo-hydraulic models. These developments will be carried out using modeling tools developed by the CEA.
By making it possible to simulate the corrosion of equipment, the development of such a model will make it possible to optimize its lifespan (by seeking to optimize its operation, for example) or to accurately estimate (and therefore anticipate) the time needed for its replacement.
Impact of solvent nanostructure on uranium precipitation: a physicochemical approach for nuclear recycling
Recycling nuclear fuel is a major challenge to ensure a sustainable energy future. The CEA, in partnership with Orano and EDF, has been developing a new process for separating plutonium-rich fuels for several years. The goal is to replace the current TBP/TPH system with a redox-free process, better suited for the reprocessing of MOX or fast neutron reactors (FNR).
In this context, this thesis proposes to study the behavior of organic solvents loaded with uranium to understand and prevent the formation of precipitates, a phenomenon that could impact the performance of industrial processes. The scientific approach will focus on the supramolecular scale and compare different monoamides to evaluate the effect of alkyl chains on the physicochemical properties and nanostructure of the solutions.
The candidate should hold a Master's degree (Master 2) in chemistry, physical chemistry, or materials science. Skills in analytical chemistry, spectroscopy (NMR, FTIR), and scattering techniques (SANS, SAXS) will be highly valued. By joining this project, you will become part of the CEA's cutting-edge laboratories (ICSM/LTSM and DMRC/SPTC/LILA), equipped with world-class facilities for studying radioactive samples. You will benefit from multidisciplinary supervision, including opportunities for international collaborations. This thesis represents a major scientific challenge with direct industrial applications, offering you valuable experience in the field of nuclear separation and processing technologies.
Influence of delayed neutron precursors losses resulting from fission gas evacuation on molten salt reactors dynamics
Over the past twenty years, molten salt reactors (MSRs) have been the focus of renewed interest in the international nuclear community (national programs, start-ups, including one from the CEA). Modern MSR concepts feature a system for evacuating fission gases, which accumulate in the expansion tank. Some of these gases will consist of radionuclides that are delayed neutron precursors, which will therefore be lost for the fission chain reaction. This should further reduce the effective fraction of delayed neutrons in these reactors, already reduced by the circulation of the fuel salt outside the critical zone. The aim of this thesis is to assess the extent of this reduction, and its influence on reactor dynamics.
Such an assessment may involve numerical simulations that take into account 1) a differentiation of delayed neutron precursor groups into “liquid phase groups” and “gas phase groups”, and 2) two-phase flow models (where each type of group joins its corresponding phase). In order to differentiate the groups, we need to evaluate the “liquid” and “gas” fractions for each of them, based for example on the branching ratios of the nuclear evaluations and knowledge of the chemical elements joining each of the phases. Once this has been done, simulations can be carried out with the CATHARE “system” code (already able to use two-phase models) and the TRUST-NK “core” code (whose two-phase calculation functions may require further development) to assess the influence of precursor loss on reactor dynamics.
Innovative modeling for multiphysics simulations with uncertainty estimates applied to sodium-cooled fast reactors
Multiphysics modeling is crucial for nuclear reactor analysis, yet uncertainty propagation across different physical domains—such as thermal, mechanical, and neutronic behavior—remains underexplored due to its complexity. This PhD project aims to address this challenge by developing innovative methods for integrating uncertainty quantification into multiphysics models.
The key objective is to propose optimal modeling approaches tailored to different precision requirements. The project will explore advanced techniques such as reduced-order modeling and polynomial chaos expansion to identify which input parameters most significantly impact reactor system outputs. A key aspect of the research is the comparison between "high-fidelity" models, developed using the CEA reference simulation tools, and "best-estimate" models designed for industrial use. This comparative analysis will highlight how these errors propagate through different models and simulation approaches.
The models will be validated using experimental data from SEFOR, a sodium-cooled fast reactor. These experiments provide valuable benchmarks for testing multiphysics models in realistic reactor conditions. This research directly addresses the growing need for reliable, efficient modeling tools in the nuclear industry, aiming to improve reactor safety and performance.
The candidate will work in a dynamic environment at the CEA, benefiting from access to advanced simulation resources and opportunities for collaboration with other researchers and PhD students. The project offers the possibility of presenting results at national and international conferences, with strong career prospects in nuclear reactor design, safety analysis, and advanced simulation.
Impact of pollution on the dynamics of bubbly flows
In accident conditions, if the core of a nuclear reactor boils, the pollution of the water can have an important role in heat exchanges. The challenge of this thesis is to understand this impact and learn to simulate it, the aim being ultimately to provide reference data for boiling in reactor conditions. To achieve this, this thesis will focus on simulating the transport of a pollutant concentration within bubbly flow. The student will simulate the pollution of interfaces by surfactant molecules, a particular case of pollutant found in most hydraulic systems. This study will be carried out using Direct Numerical Simulations carried out with the TRUST/TrioCFD open-source code. The student will be hosted at the Laboratory of Modeling and Simulation in Fluid Mechanics (LMSF) within a group of researchers and numerous PhD students. In collaboration with the academic world, the student will publish his work and participate in international conferences. We are therefore looking for a student who has completed his studies in computational fluid mechanics (M2 or equivalent). Knowledge of modern C++ language would be a notable advantage. Carrying out an internship prior to the thesis is possible.
Study and characterization of nucleate boiling in reactor conditions
In the context of the energy transition and the place of nuclear power in the energy mix, controlling safety and optimizing reactor performance represent imperative research areas with high added value. In this context, boiling at high pressure and temperature is a key issue for water reactors widely deployed in France and around the world.
The many works on this subject carried out in the past show their limitation in terms of representativeness and present certain gaps (e.g. the evolution of the topology of the flow at high pressure). The proposed subject therefore concerns the characterization of nucleate boiling for a wide range of pressure and temperature conditions, and more particularly the study of the coupling between the thermal properties of the wall and the flow (bubble sizes, detachment frequency, local void ratio, etc.). This work will also provide data relating to boiling models that can be used in CFD-type numerical calculation tools. Direct visualization of the flow using portholes (a process successfully implemented in the past), coupled with the use of stereological tools (in collaboration with the LRVE at CEA Marcoule) and associated with a measurement of the wall temperature, should make it possible to achieve the set objectives. These measurements carried out under representative reactor conditions (thermohydraulic conditions, real fluid, representative heating surface) make this study original compared to existing work.
After an initial critical literature review, the PhD student will design and test the experimental devices before implementing them through test campaigns on a dedicated installation. The results collected will be analyzed, interpreted, compared with existing models and may, if necessary, lead to the construction of new models. This thesis will take place on the POSEIDON experimental platform, dedicated to flows studies, and will allow the doctoral student to approach all phases of a research project, from the design of experimental devices to the interpretation of the results obtained.
Impact forces under flow : water gap effect on the dynamics of a nuclear component
In the framework of the contribution of nuclear power to a decarbonized energy mix, reactors safety is of paramount importance. In the event of an earthquake, dynamic loads experienced by a reactor core could lead to collisions between fuel assemblies. The presence of turbulent flow inside the core has a significant effect on the dynamic behaviour of the assemblies. Recent tests have revealed an additional effect of the flow on impact forces between structures, possibly caused by a high-speed fluid sheet phenomenon.
The objective of this thesis, divided into three parts, is to understand and characterise this high-speed fluid sheet phenomenon in the specific case of a fuel assembly geometry.
A first part will be dedicated to CFD simulations taking into account the deformation of the fluid domain mesh using the Arbitrary Lagrange-Euler (ALE) method [1]. In addition, ambitious experimental campaigns will allow measuring, as close as possible to the impact, the effect of structures displacement on flow velocity field (using optical methods such as Particle Image Velocimetry [2]) and the resulting impact forces. The findings will be translated into an analytical modelling of the phenomenon.
The candidate will be hosted by the laboratory leading work on fluid-structure interactions within CEA Cadarache research centre. He/she will be integrated into a research environment with international outreach (collaboration with George Washington University - USA), will publish his/her research outcomes in leading journals in the field, and will participate in international conferences.
[1] A computationally efficient dynamic grid motion approach for Arbitrary Lagrange-Euler simulations, A. Leprevost, V. Faucher, and M. A. Puscas, Fluids, 8(5), 2023.
[2] Longo, L., Capanna, R., Ricciardi, G., & Bardet, P. (2024). Threshold of Keulegan-Carpenter instability within a 6 × 6 rod bundle, Experimental Thermal and Fluid Science