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).
Experimental and numerical modeling study of the transport of a multi-contaminant source in the aquifer-river continuum
Assessing the risks of the migration of radiotoxic or chemical markers in the environment relies on our ability to predict the behavior of these pollutants in complex environments where physico-chemical conditions can vary in time and space. Knowledge of the chemical reactions in solution and at solid/solution interfaces must implicitly be linked to the transport properties of the medium. A detailed understanding of the behavior of radioelements in natural environments is therefore essential for the development of predictive reactive transport codes. In real cases of radiological and/or chemical contamination of groundwater and rivers, the source term is generally complex. Interactions between radioelements (“cocktail” effect) can alter their retention properties on solid phases in the surrounding medium. Similarly, the physico-chemical conditions in the environment will influence the speciation of elements in solution, and in particular, their retention properties on reactive phases.
To improve the knowledge of radioelement behavior in soil and groundwater, particularly in a multi-contaminant source (e.g., U, I, Cs, Sr, Ru, Tc), it is essential to understand the behavior of individual radioelements. Ruthenium (Ru), for example, has been identified in the literature as either strongly or weakly mobile, depending on the physico-chemical context. Its behavior in the environment in particular remains poorly understood. In these contexts, Ru occurs primarily in oxidation states +2 to +4, which vary with three main factors: pH, redox potential, and the presence of complexing ligands in solution. To predict the speciation of Ru in natural waters, it is necessary to have complexation constants for the dominant ions in the environment, including ammonium (NH4+), carbonate (HCO3-/CO32-), chloride (Cl-), sulfate (SO42-), nitrate (NO3-), hydroxide (OH-), and phosphate (PO43-). However, equilibrium constants for ruthenium (II-IV) complexes with ligands present under natural conditions are highly variable and limited in the literature. Depending on its speciation in solution, ruthenium can also sorb to or co-precipitate on reactive mineral phases such as clays and carbonates. This chemical reactivity, which depends on the physico-chemical context, is essential for predicting the migration of Ru and other radioelements in the environment.
This thesis aims to fill the gaps in thermodynamic data (complexation in solution, sorption, etc.) for the geochemical modeling of radioelements of interest (in particular ruthenium and technetium) in a natural physicochemical context. It also aims to assess the competitive effects on sorption, both with respect to anions and cations in solution and to mineral phases in the solid medium. This work will include an experimental and geochemical modelling approach.
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.
Development of a new method for analyzing the manufacturing range of cladding tubes for fourth-generation nuclear reactors
Austenitic steel AIM1 is considered as benchmark alloy for fuel cladding in fourth-generation lead (RNR-pb) or sodium (RNR-Na) reactors. This alloy is currently undergoing qualification testing. The solution treatment of titanium carbides is a key point to obtaining a microstructure that is resistant to irradiation and, in particular, to the phenomenon of irradiation swelling (condensation of vacancies that form cavities in the material). It depends mainly on the quality of the thermomechanical treatments carried out during industrial manufacturing. New approaches to fine characterization (combining electron microscopy, atom probe tomography (APT), and thermoelectric power (TEP)) make it possible to specify microstructural changes during the manufacturing process.
In this thesis, we propose to study a new criterion for assessing the manufacturing quality of AIM1. The primary objective is to determine to which extent the variations in the material's thermoelectric power (TEP) can contribute to the implementation of an acceptance test that can be applied industrially. We will seek to acquire the knowledge that will enable us to perform a simple measurement to validate the metallurgical state of the tubes by having a precise understanding of the microstructures that produce the TEP signal intensity.
This study, which will combine experimental work and modeling, will enable to acquire skills in transmission electron microscopy, atom probe tomography, behavior under ion irradiation, and cluster dynamics modeling.
Code Development and Numerical Simulation of Gas Entrainment in Sodium-Cooled Fast Reactors
In sodium-cooled fast reactors (SFRs), the circulation of liquid sodium is ensured by immersed centrifugal pumps. Under certain conditions, vortices can develop in recirculation zones, promoting the entrainment of inert gas bubbles (typically argon) located above the free surface. If these bubbles are drawn into the primary circuit, they can damage pump components and compromise the safety of the installation. This phenomenon remains difficult to predict, particularly during the design phase, as it depends on numerous physical, geometrical, and numerical parameters.
The objective of this PhD work is to contribute to a better understanding and modeling of gas entrainment in free-surface flows typical of SFRs, through Computational Fluid Dynamics (CFD) simulations using the open-source code TrioCFD, developed by the CEA. This code includes an interface-tracking module (Front Tracking) that is particularly well-suited for simulating two-phase phenomena involving a deformable free interface.
Atomic scale modeling of radiation induced segregation in Zr(Nb) alloys
Nuclear fuel cladding made of zirconium alloys constitute the first safety barrier in pressurized water reactors. The microstructure of these alloys not only controls mechanical properties, but also phenomenon such as corrosion or growth under irradiation. Enabling a more flexible use of nuclear energy in the mix while maintaining the structural integrity of fuel cladding under both operating and accidental conditions, we must understand the detailed mechanisms of microstructure evolution under irradiation. Numerous studies point toward the center part played by Nb in such microstructural evolution. For instance, diffusion flux coupling between solutes (Nb) and point defect created by irradiation gives rise to local Nb segregation, as well as precipitates which are not seen in non-irradiated samples. Atomic scale modeling brings in information that complements that obtained from experimental observations, allowing to confirm or disprove the evolution scenarios found in the literature. The aim of this Ph.D. work is to use the tools which have been developed to study irradiation effects in ferritic steels, and apply them to Zr alloys, with a focus on radiation induced segregation. Electronic structure calculations in the density functional theory approximation will be used to study the interactions between niobium atoms and point defects. From this data, we are able to compute transport coefficients, from which we can discuss quantitatively solute/point defect flux coupling and radiation induced segregation effects.
Experimental study of Nanometric-Scale Microstructural and Microchemical Evolution in Zirconium Alloys under Irradiation
Zirconium-based alloys are used as fuel cladding material for pressurized water reactors due to their low thermal neutron absorption cross-section, good mechanical strength, and excellent corrosion resistance. However, despite decades of research, the mechanisms governing the evolution of their microstructure and microchemistry under irradiation are still not fully understood. These phenomena strongly influence the in-reactor performance and lifetime of the materials
Neutron irradiation generates displacement cascades in crystalline material, producing large numbers of point defects (vacancies and interstitials) that can cluster and drive atomic redistribution. The high concentration of point defects promotes radiation-induced segregation and precipitation of alloying elements. In Zr1%Nb alloys, irradiation leads to the unexpected formation of high density Nb-rich nanoprecipitates. This phenomenon has significant implications on the macroscopic properties of the material, notably its post-irradiation creep and corrosion behavior in reactors.
This PhD project aims to elucidate the mechanisms responsible for the precipitation of Nb-rich nanoprecipitates under irradiation. A Zr1%Nb alloy will be irradiated with ions at various doses and temperatures, followed by advanced nanoscale characterization using transmission electron microscopy (TEM) and atom probe tomography (APT). These complementary techniques will provide detailed information on the spatial distribution of alloying elements and the nature of point defect clusters at the atomic scale. Based on these results, a comprehensive mechanism for irradiation-induced precipitation will be proposed, and its implications for the macroscopic properties and in-reactor performance of zirconium alloys will be assessed. By improving the fundamental understanding of irradiation-induced microstructural evolution, this research aims to contribute to the development of more radiation-resistant zirconium alloys for nuclear applications.
Experimental study and numerical simulation of deformation mechanisms and mechanical behavior of zirconium alloys after irradiation
The cladding of nuclear fuel rods used in Pressurized Water Reactor, made of zirconium alloys, is the first barrier for the confinement of radioactive nuclei. In-reactor, the cladding is subjected to radiation damage resulting in a change of its mechanical properties. After in-reactor use, the fuel rods are transported and stored. During these various steps, the radiation damage is partially annealed, leading to another evolution of the material properties. All these evolutions are still not well understood.
The objective of this PhD work is to better understand the deformation mechanisms and the mechanical behavior of zirconium alloys after irradiation, and after a partial annealing of the radiation damage. This will help to better predict the behavior of the cladding tube after use and thus guaranty the confinement of radioactive nuclei.
In order to achieve this goal, original experimental methods and advanced numerical simulations will be used. Ion irradiations will be conducted in order to reproduce the radiation damage. Heat treatments will then be done on the specimens after irradiation. Small tensile samples will be strained in situ, after annealing, inside a transmission electron microscope, at room temperature or at high temperature. Deformation mechanisms observed at nanometer scale and in real time will be simulated using dislocation dynamics, at the same time and space scales. Large scale dislocation dynamics simulations will then be conducted in order to deduce the single-crystal behavior of the material. In parallel with this study at the nanometric scale, a study will also be conducted at the micrometric scale. Nanoindentation and micropillar compression tests will be performed to assess the mechanical behavior after irradiation and annealing. The results of mechanical tests will be compared with large-scale dislocation dynamics numerical simulations.
This study will allow a better understanding of the special behavior of zirconium alloys after irradiation and annealing and then help to develop physically based predictive models. In a future prospect, this work will contribute to improve the safety during transport and storage of spent nuclear fuel.
Effect of gravity on agitation within a turbulent bubbly flow in a channel
Understanding two-phase flows and the boiling phenomenon is a major challenge for the CEA, for both the design and safety of nuclear power plants. In a Pressurized Water Reactor (PWR), the heat generated by the nuclear fuel is transferred to the water in the primary circuit. Under accident conditions, the water in the primary circuit can enter a nucleate boiling regime, or even evolve to a boiling crisis. While the phenomenon of boiling is the subject of numerous studies, the dynamics of the generated bubbles also receive special attention at the CEA. This thesis will focus on the coupling between the turbulence generated by a shear flow and the agitation induced by the bubbles. Its originality lies in the study of the effect of gravity, achieved by tilting the channel, a parameter that can generate complex flow regimes.
This experimental work will be based on the new CARIBE facility at CEA Saclay. The PhD student's mission will be to characterize the different flow regimes and then to conduct a detailed study of the flow by implementing specific metrology (including Particle Image Velocimetry (PIV), hot-film anemometry, and optical probes). Conducted within the LE2H laboratory, the project will benefit from a close collaboration with the LDEL (CEA Saclay) and the IMFT (Toulouse). The PhD student will work in a dynamic environment with other PhD students and will present their work at national and international conferences.
We are looking for a candidate with a background in fluid mechanics and a strong interest in experimental work (a Master's thesis internship is possible). This PhD offers the opportunity to develop expertise in instrumentation, data analysis, and turbulent two-phase flows—skills that are highly valued in the energy, industrial, and academic research sectors.
Localised solidifications in Molten Salt Reactors
In a Molten Salt Reactor (MSR), the nuclear fuel is a liquid, high-temperature salt which acts as its own coolant. Some accidental transients (over-cooling of the fuel, leak) may cause localised solidifications of the fuel salt in the core. These solidifications will have in turn an impact on the salt flow in the core, as well as its neutronic behavior, and could lead to a localised over-heating of the core vessel. Such transients are not well studied, although they have a major impact on the safety and design of an MSR.
The objective of the PhD is to study different accidental transients that would lead to localised solidifications, and to study their impact on the neutronics and thermal-hydraulics of the core. These analyses will require the use of multiphysics, MSR-adapted numerical tools, such as the CFD code TrioCFD and its extensions TRUST-NK (neutronics) and Scorpio (reactive transport), as well as the deterministic neutronic code APOLLO3. In order to balance precision and computation time, different models will be tested, depending on the transient studied: 1D/ turbulent 3D (RANS, LES) models for thermal-hydraulics ; diffusion / SPn transport / Sn transport for neutronics.