Effect of water radiolysis on the hydrogen absorption flux by austenitic stainless steels in the core of a nuclear pressurized water reactor
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.
Study of the influence of the microstructure of a 316L steel produced by the L-PBF process on its mechanical properties: characterization and modeling of creep and fatigue behavior
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.
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.
Polycrystalline numerical simulations of the mechanical behavior of fuel rod cladding used in pressurized water reactors
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 screw dislocations in bcc metals
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).
Thermohydraulic modelisation of a steam generator and chemical species propagation
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.
Chemo-mechanical modeling of the coupling between carbonation, rebar corrosion and cracking in cementitious materials
Rebar corrosion is one of the main causes of premature degradation of concrete infrastructures, including in the nuclear sector, where concrete is extensively used in containment structures and waste storage facilities. Carbonation, caused by the penetration of CO2 into the concrete, lowers the pH of the pore solution, promoting rebar corrosion. This corrosion leads to the formation of expansive products that can cause cracking in the material. The proposed thesis work, developed as part of a European collaborative project between CEA Saclay, École des Mines de Paris - PSL, and IRSN, aims to develop a numerical model to simulate these phenomena. The model combines a reactive transport code (Hytec) and a finite element code (Cast3M) to study the local effects of carbonation-induced corrosion on concrete cracking. This project will benefit from parallel experimental work to gather data for parameter identification and model validation. The first part of the research will focus on modeling the carbonation of cementitious materials under unsaturated conditions, while the second part will address the corrosion of rebar caused by the pH drop induced by carbonation. The model will describe the growth of corrosion products and their expansion, inducing stress within the concrete and potential microcracking.
This research project is aimed at a PhD student wishing to develop their skills in materials science, with a strong focus on multi-physical and multi-scale modeling and numerical simulations. The thesis will be carried out principally at CEA Saclay and at École des Mines de Paris – PSL (Fontainebleau).
Reactive metals corrosion in innovative binders – Experimental study and hydro-chemo-mechanical modelling
Nuclear waste management requires the packaging of several kinds of metal wastes for long-term storage. These wastes, which can be very reactive metals, are prone to corrosion and commonly immobilised into containers with hydraulic binders as embedding matrices. Innovative binders (low carbon cements, alkali activated materials) are thus developed to increase the packaging performances. The main objective of the European project STREAM (in the frame of the Eurad-2 program) is to evaluate the interactions between these metal wastes and the selected cement matrices. The PhD thesis purpose is to investigate the reactive metal corrosion in the selected binder with electrochemical techniques. A generic experimental protocol will be developed in order to determine the impact of the corrosion products growth at the metal/binder interface on the global mechanical behaviour of the binder-waste composite and possible micro-cracks occurrence. A post-mortem characterisation will be performed on the metal/binder microstructure with mechanical properties measurements of the materials at the interface, especially the corrosion products. Afterwards, these results will feed a simplified Hydro-Chemo-Mechanical (HCM) model aiming the simulation of corrosion consequences on the composite material behaviour. Subsequently, this model will be used for long-term simulation at the waste package scale.
This research project is aimed at a PhD student wishing to improve his/her skills in materials science both in the experimental field and in the modelling/simulation of coupled physicochemical phenomena.
Impact of a sodium nitrate saline plume on the radionuclide confinement properties of cementitious matrices
Using modelling to predict the migration of radioactive species through a well-known porous matrix, such as concrete, is a major challenge for society, particularly in the context of studies linked to the radioactive waste management. Demonstrating that the proposed model is robust through targeted laboratory experiments under extreme chemico-physical conditions is one of the scientific challenges proposed by the CEA as part of this PhD research project.
The young reseacher will be responsible for designing, carrying out and modelling experimental lab-tests on the retention and diffusion of radionuclides of interest in controlled cementitious conditions or under perturbation due to the nitrate plume leading to very high concentrations in the pore solution. The main expected result is to propose a predictive model coupling chemistry under extreme ionic strenght conditions and transport through complex cementitious matrices, validated by experimental data acquired on simple systems.
Surrounded by a team of experts in the field of measuring and modelling radionuclides migration in porous media, the PhD student will be able to develop or extend his/her skills in the following areas: chemistry, analytical chemistry, physico-chemistry, radiochemistry and modelling.
Improving the predictivity of large eddy simulations using machine learning guided by high-fidelity simulations
This thesis aims to explore the application of machine learning techniques to improve turbulence modeling and numerical simulations in fluid mechanics. More specifically, we are interested in the application of artificial neural networks (ANNs) for large eddy simulation. The latter is a modeling approach that focuses on the direct resolution of large turbulent structures, while modeling small scales by a subgrid-scale model. It requires a certain ratio of total kinetic energy to be resolved. However, this ratio may be difficult to achieve for industrial simulations due to the high computational cost, leading to under-resolved simulations. We aim to improve the latter by focusing work along two main axes: 1) Using ANNs to build generic sub-mesh models that outperform analytical models and compensate for coarse spatial discretization; 2) Training ANNs to learn wall models. One of the main challenges is the ability of the new models to generalize correctly in configurations different from those used during training. Thus, taking into account the different sources and quantification of uncertainties plays a vital role in improving the reliability and robustness of machine-learned models.