Understanding microstructural changes during heat treatment of iron-rich SmCo magnets
The magnetic properties of SmCo magnets (remanence and coercivity) are linked to their microstructure. The final microstructure develops after sintering during homogenization and ageing heat treatments. The optimum temperature and/or duration of these treatments depend on the magnet’s composition. One of the major areas of development for commercial Sm2Co17 magnets is to achieve both high magnetic performance and a reduction in critical materials (notably cobalt). This is achieved by substituting part of the Co with Fe, which also helps to reduce raw material costs. However, the literature shows that when the Fe content exceeds 20% by weight, the coercivity of the magnets is diminished.
The aim of the thesis will be to understand the role and sensitivity of the process parameters that govern the evolution of the microstructure within Fe-rich Sm2Co17 magnets and the resulting properties. These developments will be monitored through various characterization techniques (chemical analyses, magnetic measurements, SEM and TEM observations, etc.) carried out on samples taken at different stages of the process. The aim is to systematically monitor (for the first time for this type of magnet) the structural transformations (chemical segregation, changes in Sm content, presence of defects, oxygen contamination, etc.) that occur from the synthesis of the alloy through to the final magnet. These characterizations should lead to a description of the mechanisms underlying the formation of the expected microstructure. These mechanisms are activated during the various heat treatments, but the influence of the metallurgical and chemical state (for example, defect density and chemical inhomogeneity) inherited from previous stages of the process is still poorly understood and will need to be clarified.
Growth of FAPbBr3 by CSS for X-ray detection
Lead halide perovskites, and particularly hybrid organic-inorganic materials based on formamidinium, possess exceptional optoelectronic properties that have been intensively exploited for photovoltaic (PV) applications. Within this family of materials, FAPbBr3 is also particularly promising for X-ray detection in medical applications. However, this technology requires the ability to deposit thick layers (>100 µm) over large areas. CEA-LITEN has developed an innovative approach for depositing inorganic perovskites using close-space sublimation (CSS), which meets these criteria. Very recently, it has been shown that it is possible to deposit FAPbBr3 using this method, marking a world first.
However, the growth mechanisms of FAPbBr3 and hybrid perovskites via CSS are largely misunderstood, and the possibilities offered by this deposition method are yet to be fully explored. Furthermore, these results are also extremely promising for PV applications, as similar growth is expected by substituting Br to form FAPbI3.
This thesis aims to (i) determine and optimize the growth conditions via CSS for FAPbBr3 layers, (ii) understand the growth mechanisms of FAPbBr3 through advanced characterizations (in-situ and ex-situ), and (iii) optimize devices for X-ray detection. The extension of this work to FAPbI3 for PV applications is also anticipated. The novelty of this approach and the potential to address multiple applications offer prospects for publications and patents.
Hydrogen transport and trapping in austenitic alloys coupling experiments and simulations.
Molecular hydrogen H2 is an alternative energy carrier to traditional fossil fuels, gas or oil. It meet the current energy and environmental challenges, i.e. the need to store greenhouse gases free energy produced by intermittent means such as wind turbines or solar panel. Nevertheless, its safe storage and transportation is one of the keys to its use. The containers or pipes that carry the hydrogen must be leaktight and maintain their integrity over time, for both economical and safety reasons. Understanding and predicting the behavior of hydrogen in container/pipeline alloys and the associated mechanical degradation – such as embrittlement – is therefore crucial for the development of the hydrogen industry. These issues are also generic to all alloys exposed to a source of hydrogen, in corrosion or in the metallurgical industries where the hydrogen simply comes from contact with water, or in the oil&gas industry where hydrogen comes from hydrogen sulphides present in hydrocarbons.
If many experimental works have identified hydrogen embrittlement as the origin of the degradation of alloys exposed to hydrogen, large gray areas still remain on the mechanisms at work due to experimental difficulties and the great variability of the observed phenomena. In addition, the transport and trapping of hydrogen prior to mechanical degradation are poorly known and poorly documented at the nanoscale.
The objective of the thesis is to explore the mechanisms of hydrogen trapping / transport in austenitic materials, as well as its distribution in volume, prior to cracking in order to be able to report and explain the experimental observations.
To achieve this objective, the thesis work will be dedicated to the study of pure nickel, a model system for the austenite phase. The study will be carried out in three stages: (i) thermodesorption measurements and (ii) atomic scale simulations using molecular dynamics, both feeding chemical kinetics modeling coupled with Fick's law at the mesoscopic scale.
Multiscale modeling of the magnetic response of heterogeneous material
The spectral dependence of the permeability of magnetic materials, whether in composite or dense materials, remains a complex issue due to the different scales of the phenomena involved. Approximate analytical models are often used to describe the frequency response of magnetic materials, particularly to improve their performance in areas such as power electronics. Recent results have shown that micro-magnetism codes can now predict the response of a system of coupled nanoparticles or a particle representing the volume of the materials in question. This thesis aims to use these tools to improve existing analytical models. An inclusion immersed in an effective field will be the paradigm from which the domain structure and the spectral response of the particle will be calculated using a micro-magnetism code. The materials studied include spherical particles or those with a high aspect ratio (magnetic oxides, ferromagnetic petals) at varying concentrations, ranging from dilute media to dense materials. This work will identify pathways to optimize the microstructure of materials for better performance in applications such as power electronics and microwave components. To this end, CEA provides a scientific computing environment with access to HPC resources, as well as facilities for sample preparation and static and dynamic magnetic characterization. At the end of this work, the candidate will have gained a solid understanding of the microstructure-property relationships described by a numerical approach applied to magnetic materials. More generally, this approach is expanding in the field of materials to improve their properties in various fields, under the designation "materials by design".
Modeling the CSS growth of CsPbBr3
Lead-halide perovskites, particularly CsPbBr3, are emerging as promising materials for X-ray detection in medical applications. This technology requires their deposition in thick layers (>100 µm), and close-space sublimation (CSS), initially developed by CEA-Liten, has shown highly encouraging results. However, this process remains poorly understood at the microscopic scale, and the relationship between microstructure and performance remains a major scientific and industrial challenge.
This thesis, in partnership with the SIMAP laboratory, aims to develop a comprehensive thermodynamic model of the CSS process. The candidate will (i) experimentally generate the essential thermodynamic data for modeling, (ii) simulate growth mechanisms, and (iii) validate them experimentally using dedicated instrumented growth furnaces and advanced characterization techniques. Machine learning tools will be implemented to establish predictive correlations between deposition parameters and layer properties.
The results will enable optimization of CsPbBr3 growth for more sensitive and stable X-ray detectors, with a strong impact on medical imaging. This work will also provide opportunities for high-impact publications and patents in a highly competitive field.
CdTe for medical radiography; control of electrical properties
The use of direct-conversion detectors in medical radiography opens up new possibilities. Due to its properties, the semiconductor material CdTe has emerged as the material of choice for manufacturing these new components. The proposed thesis topic aims to develop the knowledge and processes necessary to produce CdTe crystals with properties tailored to specific application requirements. The work will draw on the laboratory’s advanced expertise in mastering CdTe single-crystal growth processes. The key challenges of the project will be as follows:
- Performing annealing under controlled atmospheres (ex-situ, on small samples) to study their impact on the electrical properties of CdTe,
- Conducting advanced characterizations to better understand the doping mechanisms in CdTe,
- Fabricating “simple” devices and testing them under X-ray flux to quantify the performance of the laboratory’s materials.
The proposed thesis topic is central to the development of a CdTe technology for medical radiography applications. Multidisciplinary work (material and process development, material characterization, fabrication and X-ray testing of simplified devices) is proposed to address this topic.
Impact of ultrasound on the flow properties of complex suspensions
Nuclear industry generates radioactive wastes of various nature such as solids, liquids but also sludges coming from effluent treatment facilities or historical residues stored in pool or tanks. The physico-chemical nature of those sludges leads to a complex flow behaviour making it difficult to handle and convey prior their immobilization in a conditioning matrix. In order to fluidize these suspensions of varying compositions, the mechanical action of power ultrasound is envisaged. It has recently been shown, thanks to a set-up coupling power ultrasound and rheology, that it is possible to significantly reduce the yield stress and viscosity of the slurry by applying ultrasound. The aim of this thesis is to pursue the studies already undertaken (physical chemistry, microstructure, ultrasound and rheology) on reconstituted sludge or simplified model suspensions, focusing more specifically on two aspects. The first, more fundamental, will aim to gain a better understanding of the interaction between power ultrasound and matter, with a particular focus on the origin of the effects observed (interfaces vs. volume). The second aspect will be more applied, with the development of original larger-scale experimental devices capable of generating flows closer to industrial situations. For this phD work, we are looking for a motivated, serious and curious candidate. Given the multidisciplinary character of the subject, mixing physics, physico-Chemistry and experimental development, the candidate could valorize his new skills in various industrial fields such as nuclear, civil engineering and depollution domain.
The thesis will be conducted in a laboratory at CEA Marcoule, which provides the scientific, technical, and human resources necessary to carry out the research. Short stays are planned at the physics laboratory of ENS Lyon. This PhD topic, combining both fundamental understanding and applied aspects, offers dual career prospects: either pursuing a postdoctoral position or entering a career in industry.
Growth of 2D Ferromagnetic Chalcogenide Materials for Spintronics
Chalcogenide materials, particularly Ge-Sb-Te (GST) alloys, are essential for phase-change memory (PCMs).
Although high-performance, these memories consume a great deal of energy, which
is driving the search for alternative solutions. GST alloys offer unique opportunities in the field of spin-orbitronics as spin-charge conversion materials or as sources of spin-polarized current. Two-dimensional ferromagnetic alloys such as Fe-Ge-Te or Ge-Mn-Te offer promising avenues as sources of spin current for new types of more efficient memory devices. For efficient spin injection, we are seeking a material that not only exhibits a high Curie temperature (TC) and significant spin polarization, but is also fully compatible with existing silicon-based CMOS technology.
The aim of this thesis is to develop and master, on an industrial scale on 300 mm Si substrates, the van der Waals epitaxial growth of 2D ferromagnetic films based on Fe-Ge (Ga)Te2 (n=3, 5) or Ge_(1-x)Mn_xTe, for example to integrate them in situ with spin-charge conversion chalcogenide layers such as ferroelectric layers (a-GeTe(111)) or topological insulators (Bi_(2-x)Sb2Te3).
Development and characterization of a low-silver metallization for photovoltaic cells with high-efficiency passivated contacts
In order to decarbonize energy production and meet climate plan objectives, the production of photovoltaic (PV) modules must increase significantly. To sustain these production levels, the silver content in latest-generation cells must be drastically reduced. Some alternatives incorporate less expensive metals (nickel, aluminum, copper) into screen-printing pastes. These approaches require evaluation in terms of contact formation, electron transport, and reliability. In a TOPCon cell architecture, the electrode must be brought into direct contact with the active layers of the cell via thermal annealing. This step enhances device performance (through a hydrogenation phenomenon) while simultaneously generating potential degradation related to the introduction of metallic species. This is especially critical when using new metals (Ni, Cu, etc.) with higher diffusivities than silver. The objectives of this thesis are manifold: to evaluate the performance of these low-silver alternative pastes once integrated into TOPCon cells; to characterize the impact of the introduction of these metallic species on the lifetime of photogenerated carriers in silicon; and to assess the long-term stability of these metallizations while verifying the absence of cell degradation phenomena under prolonged illumination. If necessary, an alternative metallization technique more suitable for these pastes will be developed. During the PhD, the successful candidate will be required to fabricate, metallize via screen printing, and characterize devices within a cleanroom environment.
Enhancing Faradaic Efficiency in Protonic Ceramic Electrolysis Cells (PCCELs) through Electrolyte and Electrode–Electrolyte Interface Engineering
Proton conducting ceramic electrolysis cells (PCCELs), an advanced variant of solid oxide electrolysis cells (SOECs), enable the direct production of hydrogen through steam electrolysis using proton-conducting electrolytes. Unlike conventional SOECs, which rely on oxygen ion (O²?) conductors, PCCELs operate at lower temperatures (~400–600?°C vs. 750–850?°C for SOECs) due to their higher proton conductivity. This lower operating temperature helps reduce material degradation and overall system costs. While SOEC technology has reached industrial maturity, with large-scale deployment projects underway, the development of PCCELs remains limited by several scientific challenges. These include the difficulty of densifying electrolytes (such as BaCeO3–BaZrO3) without barium volatilization during high-temperature sintering; the proton transport limitations posed by grain boundaries; and the poor control of electrode–electrolyte interfaces. This thesis aims to improve the faradaic efficiency of PCCELs by optimizing the microstructure of the electrolyte and engineering high-quality interfaces through targeted surface treatments. The methodology includes cell fabrication, interface engineering, and electrochemical evaluation. The ultimate goal is to establish robust and scalable processing protocols that enable PCCELs to achieve faradaic efficiencies above 95%, compatible with industrial-scale deployment.