Study of an innovative cleaning process dedicated to the treatment of residual sodium in facilities using liquid sodium as a coolant
Sodium is used as a heat transfer fluid in fast neutron nuclear reactors. Given the operating temperatures of these facilities, all surfaces in contact with liquid sodium remain wetted with residual sodium once the circuits have been drained. The treatment of this residual sodium is required to ensure the safety of interventions on components and structures in a dismantling process. The reference method for this action is cleaning with water in a dedicated cleaning pit. This process involves a reaction of sodium with water in different forms, by controlling the reaction kinetics, which is instantaneous and highly exothermic without controlling the contacting of the reagents.
An exploratory study was carried out at CEA (PhD thesis defended in 2014) on the use of salts to mitigate reaction kinetics. The Sodium and advanced coolant technology laboratory (DES/IRESNE/DTN/STCP/LESC) thus has R&D facilities, instrumented and dedicated to the study of sodium cleaning processes and equipped with the functionalities of an industrial cleaning pit , such as spray nozzles, atomizing nozzles and an immersion device.
The main scientific objective of this new PhD is now to identify, understand and model the physicochemical mechanisms involved in the sodium-water reaction kinetics involving salts. This work will make it possible to limit or avoid pressure wave phenomena or of explosion during the treatment of residual sodium from fast neutron nuclear reactor circuits during their decommissioning and dismantling. The PhD student's mission will be to define the experimental design, to actively participate in carrying out the test campaigns, to analyse the results and to propose an interpretation of the observed phenomena (kinetics, pressure peak, local temperature rise, etc.). The aim of the experimental campaign will be to acquire reliable thermodynamic and reaction kinetic data, such as reaction times, variation of dynamic pressure, temperature rise, composition of the gas and liquid phases, speciation in liquid phase and visualization of the phenomenology via high-speed camera. Modelling tools will be used to establish and simulate a reaction kinetic model. Ultimately, the proposed work will make it possible to qualify the process for industrial application in the field of decommissioning/dismantling, which is a major challenge for the French nuclear industry.
In addition to the experience acquired in the field of nuclear systems dismantling, the proposed work opens up professional prospects, particularly towards research centers and R&D departments in industry.
A master internship is proposed by the team in addition to the thesis.
Simulation of the evolution of dislocation microstructures in UO2: impact of dislocation climbing at high temperature
Carbon neutrality requires the development of low-carbon energy production systems, including nuclear power. The safety analysis of nuclear reactors requires the containment of fission products in all operating conditions, including the integrity of the first barrier made up of the fuel elements. For rod-type designs, which consist of a stack of fuel pellets in a metallic cladding, the mechanical behavior of uranium dioxide (UO2), pellet material, plays an important role in the cladding integrity assessment. During power transients, fuel-cladding contact increases mechanical stresses on the cladding, and fuel creep can accommodate swelling deformations, thereby reducing the stresses induced the cladding. One of the challenges is to understand and predict this phenomenon of UO2 creep, and in particular the mechanisms that drive it at the polycrystalline microstructural scale.
The main objective of the thesis will be to provide simulation methods and reference results in support of multi-scale modeling of the mechanical behavior of fuel at high-temperature, which is highly dependent on dislocation climbing mechanisms. To this end, a computational scheme will be developed, based on the coupling of a dislocation dynamics code (NUMODIS) and a code for solving nonlinear partial differential equations by FFT (AMITEX-FFTP), in order to describe the evolution of a dislocation microstructure (NUMODIS) under the effect of dislocation climbing induced by vacancy diffusion (AMITEX-FFTP). Simulations based on this approach will then be used to quantify the recovery of stored dislocation density with the effect of climbing mechanisms in different configurations (temperatures, stresses, etc.). Ultimately, this work will improve and validate the existing micromechanical modeling implemented in the CEA's PLEIADES simulation platform.
This thesis will be carried out under the joint supervision of the Département d'Etude des Combustibles (Institut IRESNE, CEA Cadarache) and the Département de Recherche sur les Matériaux et la Physico-chimie (Institut ISAS, CEA Saclay), and in collaboration with IM2NP at Aix Marseille Université. The thesis work will be carried out at the LM2C (Cadarache) and LC2M (Saclay) laboratories, in an environment that provides access to extensive expertise in multi-scale materials modeling. The research work will be promoted through publications and participation in international conferences in the materials field.
Uncertainty quantification and sensitivity analysis for vibrations of thin structures under axial flow
Fluid-structure interaction (FSI) phenomena are omnipresent in industrial installations where structures are in contact with a flowing fluid that exerts a mechanical load. In the case of slender flexible structures, IFS can induce vibratory phenomena and mechanical instabilities, resulting in large displacement amplitudes. The nuclear industry is confronted with this problem, particularly concerning piping, fuel assemblies, and steam generators. Computation codes are an essential tool that, based on several input parameters, provide access to quantities of interest (output variables) that are often inaccessible experimentally for the prevention and control of vibrations. However, knowledge of input parameters is sometimes limited by a lack of characterization (measurement error or lack of data) or simply by the intrinsically random nature of these parameters.
In this context, this thesis aims to analyze the vibratory response of a thin structure with uncertain geometric characteristics (structure with a curvature defect, localized or global). In particular, we aim to understand how geometric uncertainties affect the stability of the flexible structure.
This characterization will be carried out both theoretically and numerically. As the work progresses, the effect of different uncertainties (linked, for example, to the material characteristics of the structure or the properties of the incident flow) may be considered. Ultimately, the work carried out as part of this thesis will enable us to improve the prediction and control of vibrations of thin structures under axial flow.
Fluid-structure interactions and associated instabilities are present in many fields, whether in aeronautics with the phenomena of wing flutter, in nuclear power with the vibrations of components under flow, in biology for the understanding of underwater animal locomotion, in botany for the understanding of plant growth, in sport for performance optimization, in energy recovery from fluid-excited flexible structures. The thesis will enable the student to acquire a wide range of skills in mathematics, numerical simulation, fluid mechanics and solid mechanics, and to train for research in the field of fluid and solid mechanics, leading ultimately to a career in this field, whether in academia or in applied research and development in numerous fields of interest to scientists and society in general. A 6-month internship subject is also offered as a preamble to the thesis (optional).
Education level: Master 2 / Final year of engineering school.
Required training: continuum mechanics, strength of materials (beam theory)
fluid mechanics, fluid-structure interaction, numerical simulation (finite elements).
HPC Parallel Integrodifferential Solver for Dislocation Dynamics
Context : Understanding the behavior of metals at high deformation rate [4] (between 104 and 108 s-1) is a huge scientific and technologic challenge. This irreversible (plastic) deformation is caused by linear defects in the crystal lattice : these are called dislocations, which interact via a long-range elastic field and contacts.
Nowadays, the behavior of metals at high deformation rate can only be studied experimentally by laser shocks. Thus, simulation is of paramount importance. Two approaches can be used : molecular dynamics and elastodynamics simulations. This thesis follows the second approache, based on our recent works [1, 2], thanks to which the first complete numerical simulations of the Peierls-Nabarro Equation (PND) [5] was performed. The latter equation describes phenomena at the scale of the dislocation.
PND is a nonlinear integrodifferential equation, with two main difficulties : the non-locality in time and space of the involved operators. We simulated it thanks to an efficient numerical strategy [1] based on [6]. Nevertheless, the current implementation is limited to one CPU –thus forbidding thorough investigations on large-scale systems and on long-term behaviors.
Thesis subject : There are two main objectives :
- Numerics. Based on the algorithmic method of [1], implement a HPC solver (High Performance Computing) for the PND equation, parallel in time and space, with distributed memory.
- Physics. Using the solver developped, investigate crucial points regarding the phenomenology of dislocations in dynamic regime. For exploiting the numerical results, advanced data-processing techniques will be employed, potentially enhanced by resorting to AI techniques.
Depending on the time remaining, the solver might be employed for investigating dynamic fractures [3].
Candidate profile : The proposed subject is multidisciplinary, between scientific computing, mechanics, and data-processing. The candidate shall have a solid background in scientific computing applied to Partial Differential Equations. Mastering C++ with OpenMP and MPI is recommended. Moreover, interest and knowledge in physics –especially continuum mechanics- will be a plus.
The PhD will take place at the CEA/DES/IRESNE/DEC in Cadarache (France), with regular journeys to Paris, for collaboration with CEA/DAM and CEA/DRF.
[1] Pellegrini, Josien, Shock-driven motion and self-organization of dislocations in the dynamical Peierls model, submitted.
[2] Josien, Etude mathématique et numérique de quelques modèles multi-échelles issus de la mécanique des matériaux. Thèse. (2018).
[3] Geubelle, Rice. J. of the Mech. and Phys. of Sol., 43(11), 1791-1824. (1995).
[4] Remington et coll., Metall. Mat. Trans. A 35, 2587 (2004).
[5] Pellegrini, Phys. Rev. B, 81, 2, 024101, (2010).
[6] Lubich & Schädle. SIAM J. on Sci. Comp. 24(1), 161-182. (2002).
Multiscale dynamics of a slender structure with frictional singularities: application to a fuel assembly
The dynamic modeling of complex structures may require to take into account phenomena occurring at very different scales. However, a full refined modeling of this type of structure generally leads to prohibitive calculation costs. Multiscale modeling then presents an alternative solution to this problem, taking into account each phenomenon at the most appropriate scale.
We are interested here in slender structures subjected to mechanical stresses with frictional contacts between the structure and the retaining elements. The behavior of slender structures is in general represented by beam models, but accurately taking into account all the local contact/friction requires massive 3D models.
The originality of the work proposed here is to build an efficient multiscale and multimodel approach between beam and massive models which makes it possible to locally take into account the friction contact of slender structures. We are therefore moving towards the use of local multigrid (or multilevel) methods which naturally allow a non-intrusive multiscale coupling. The accuracy of these methods depends on the choice of transfer operators between scales, which must be carefully defined. It will also be necessary to take into account the incompatibility of the meshes supporting the models on the various relevant scales. Hence, the final model will consist in an enriched beam model taking into account local contact phenomena.
The developed model will be compared with experimental results obtained during test campaigns already carried out, and with reference numerical solutions, of increasing complexity, intended to finely validate the relevance of the proposed multiscale approach.
The strong potential of the targeted multiscale approaches, applied in this subject to the nuclear field, could be exploited by the candidate for other industrial issues such as those of aeronautics or the automotive industry.
This thesis will take place within the framework of the joint MISTRAL laboratory between the CEA and the LMA (Laboratoire de Mécanique et d’Acoustique) in Marseille. The PhD student will carry out the major part of his thesis within the CEA (IRESNE institut, Cadarache) in teams specialized in numerical methods and dynamic modeling of complex structures. The doctoral student will travel regularly to Marseille to discuss with the university supervisors.
From angstroms to microns: a nuclear fuel microstructure evolution model whose parameters are calculated at the atomic scale
Controlling the behavior of fission gases in nuclear fuel (uranium oxide) is an important industrial issue, as fission gas release or precipitation limit the use of fuels at extended burn-ups. The gas behavior is strongly influenced by the material’s microstructure evolution due to the aggregation of irradiation-induced defects (gas bubbles, dislocation loops and lines). Cluster dynamics (CD) (a kind of rate theory model) is relevant for modelling the nucleation/growth of the defect clusters, there gas content and the gas release. The current model has been parameterized following a multiscale approach, based on atomistic calculations (ab initio or empirical potentials). This model has been successfully applied to annealing experiments of UO2 samples implanted with rare gas atoms and has emphasized the impact of the irradiation damage on gas release. The aim of this PhD thesis is now to improve the model, particularly the damage parameterization, and to extend its validation domain through in depth comparison of simulation with a large set of recently obtained experimental results, such as gas release measurement by annealing of sample implanted in ion beam accelerator, bubble and loop observation by transmission electrons microscopy, and positron annihilation spectroscopy. This global analysis will finally yield an improved parameterization of the CD model.
The research subject combines a “theoretical” dimension (improving the model) with an “experimental” one (interpreting existing experiments or designing some new ones). The variety of techniques will introduce the candidate into the experimental world and thus broaden his scientific skills. The candidate will also have to manage collaborations for the experiments analysis, for the model development and for the specification of additional atomistic calculations. He will be at the interface of atomistic techniques, large-scale simulation and various experimental techniques. Therefore, he will develop a broad view of irradiation effects in materials and of multi-scale modelling in solids in general.
This project is an opportunity to contribute to the overall development of numerical physics applied to multi-scale modeling of materials, occupying a pivotal position and adopting a global viewpoint. This will allow experiencing oneself the way computed fundamental microscopic data finally helps solving complex practical issues.
Further readings:
Skorek et al. (2012). Modelling Fission Gas Bubble Distribution in UO2. Defect and Diffusion Forum, 323–325, 209.
Bertolus et al. (2015). Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation. Journal of Nuclear Materials, 462, 475–495.
Assisted generation of complex computational kernels in solid mechanics
The behavior laws used in numerical simulations describe the physical characteristics of simulated materials. As our understanding of these materials evolves, the complexity of these laws increases. Integrating these laws is a critical step for the performance and robustness of scientific computations. Therefore, this step can lead to intrusive and complex developments in the code.
Many digital platforms, such as FEniCS, FireDrake, FreeFEM, and Comsol, offer Just-In-Time (JIT) code generation techniques to handle various physics. This JIT approach significantly reduces the time required to implement new simulations, providing great versatility to the user. Additionally, it allows for optimization specific to the cases being treated and facilitates porting to various architectures (CPU or GPU). Finally, this approach hides implementation details; any changes in these details are invisible to the user and absorbed by the code generation layer.
However, these techniques are generally limited to the assembly steps of the linear systems to be solved and do not include the crucial step of integrating behavior laws.
Inspired by the successful experience of the open-source project mgis.fenics [1], this thesis aims to develop a Just-In-Time code generation solution dedicated to the next-generation structural mechanics code Manta [2], developed by CEA. The objective is to enable strong coupling with behavior laws generated by MFront [3], thereby improving the flexibility, performance, and robustness of numerical simulations.
The doctoral student will benefit from guidance from the developers of MFront and Manta (CEA), as well as the developers of the A-Set code (a collaboration between Mines-Paris Tech, Onera, and Safran). This collaboration within a multidisciplinary team will provide a stimulating and enriching environment for the candidate.
Furthermore, the thesis work will be enhanced by the opportunity to participate in conferences and publish articles in peer-reviewed scientific journals, offering national and international visibility to the thesis results.
The PhD will take place at CEA Cadarache, in south-eastern France, in the Nuclear Fuel Studies Department of the IRESNE Institute [4]. The host laboratory is the LMPC, whose role is to contribute to the development of the physical components of the PLEIADES digital platform [5], co-developed by CEA and EDF.
[1] https://thelfer.github.io/mgis/web/mgis_fenics.html
[2] MANTA : un code HPC généraliste pour la simulation de problèmes complexes en mécanique. https://hal.science/hal-03688160
[3] https://thelfer.github.io/tfel/web/index.html
[4] https://www.cea.fr/energies/iresne/Pages/Accueil.aspx
[5] PLEIADES: A numerical framework dedicated to the multiphysics and multiscale nuclear fuel behavior simulation https://www.sciencedirect.com/science/article/pii/S0306454924002408
Optimizing the estimation of the mass of the nuclear material by advanced statistical methods
In order to comply with safety and security standards for nuclear waste storage and non-proliferation treaties, producers of waste containing uranium or plutonium often need to measure the amount of nuclear materials in their radioactive waste. The radiological characterization of nuclear materials by passive and active neutron measurement is one of the historical research activities of the Nuclear Measurement Laboratory (LMN) of the CEA/IRESNE Institute.
Proportional counters filled with 3He or covered with boron are the reference detectors used for these techniques, which are reference tools for measuring plutonium or uranium. In passive measurement, neutron coincidence makes it possible to discriminate spontaneous fission events associated in particular with 240Pu from neutrons resulting from (a, n) reactions. In active measurement, the active neutron interrogation technique (DDT) provides information on the amount of fissile isotopes inside a waste package.
In order to reduce the sensitivity of neutron measurement techniques to matrix attenuation and contaminant localization effects, one of the objectives of the thesis is to study the coupling of different types of measurements, such as channel-by-channel measurement, emission tomography or high-energy X-ray radiography, within a framework of advanced statistical methods. The thesis also aims to evaluate the contribution of advanced statistical methods, such as regression algorithms, Bayesian approaches (among which the Gaussian process), and neural networks, to reduce the uncertainty associated with the plutonium mass.
Particular attention will be paid to the treatment of heterogeneities in the matrix and the distribution of the radioactive contaminant. The influence of these heterogeneities can be particularly difficult to quantify, requiring not only the use of advanced statistical methods, but also an in-depth experimental study using the SYMETRIC neutron measurement station of the CEA/IRESNE Institute.
The thesis work will be carried out at the CEA site of Cadarache Nuclear Measurement Laboratory, which is a professional laboratory, expert in non-destructive methods of radiological, elementary and physical characterization of objects whether radioactive or not. It is equipped with leading technological platforms, located in the TOTEM facility (neutron and gamma measurements) and the INB Chicade (SYMETRIC platforms for neutron measurement and CINPHONIE for high-energy RX imaging). Finally, the doctoral student will work in a collaborative environment where the different teams interact closely with each other.
Simplified modelling of calcination in a rotating tube
As part of the reprocessing of uranium oxide spent fuel, the final high-level liquid waste is packaged in glass using a two-stage process, calcination followed by vitrification. Calcination gradually transforms the liquid waste into a dry residue, which is mixed with preformed glass in a melting furnace. The calciner consists of a rotating tube heated by a resistance furnace. The calcined solutions consist of nitric acid and compounds in their nitrate form or insolubles in the form of metal alloys. In order to improve control of the calciner, it is proposed to model it.
The modelling will consist of creating and then coupling three models:
- A thermodynamic model to represent the transformations undergone by the material. This part will almost certainly involve ATD and ATG measurements, coupled with a design of experiments type approach (1st year).
- A material flow model. The literature already contains very simplified principles for representing the flow in a rotating tube calciner, but we will have to be innovative, in particular by defining tests to characterise the flow of the material during the calcination process (2nd year).
A thermal model that will take into account exchanges between the furnace and the calciner tube as well as exchanges between the material and the tube. The exchange coefficients will have to be characterised (1st year).
Combining these three models (3rd year) will give rise to an initial simplified calcination model. This model will be used to help control the calcination stage and also to train operators to control this apparatus.
You will be working in the LDPV, a multidisciplinary team (process, chemistry, fluid mechanics, modelling, mechanics, induction) comprising 16 engineers and technicians. A team with 30 years' experience in vitrification processes, recognised both nationally and internationally.
Development of thin film negative electrodes for Li-free all-solid-state batteries
The aim of this work is to develop 'Li-free' negative electrodes for new generations of high energy density all-solid-state lithium batteries. The function of this type of electrode is to provide a significant gain in energy density in the battery, to facilitate its manufacture by eliminating the need to handle lithium metal and, most importantly, to enable the formation of a homogeneous, dendrite-free lithium film when the battery is charged.
These electrodes will be based on the functionalisation of a metal collector with thin-film materials comprising at least one lithiophilic material (typically a compound that can be alloyed with lithium) and an inorganic ionic conductor. These electrodes are prepared by physical vacuum deposition processes such as sputtering or thermal evaporation. It will therefore be necessary to study the influence of the composition and structure of the lithiophilic layer on the nucleation and growth mechanism of the lithium film and on the evolution of the electrode during charge/discharge cycles. The role of chemical/mechanical interactions with the ionic conducting layer will also be investigated.
This work, which is part of a national CEA/CNRS joint project, will be carried out at the CEA Tech site in Pessac, which has a full range of vacuum deposition and thin film characterisation equipment, in close collaboration with ICMCB CNRS in Bordeaux. It will benefit from the many characterisation resources (confocal optical microscopy, SEM/cryo FIB, ToF-SIMS, SS-NMR, µ-XRD, AFM,...) available in the various partner laboratories involved in the project.