III-V semiconductor nanoplatelets
Colloidal semiconductor nanoplatelets (NPLs) are a class of two-dimensional nanostructures that have electronic and optical properties distinct from those of spherical quantum dots (QDs). They exhibit strong quantum confinement in a single dimension, their thickness, which can be controlled on the monolayer level using solution chemistry. As a result, NPLs emit light with an extremely narrow spectral width and at the same time, they have a very high absorption coefficients. These properties make them ideal candidates for various applications (e.g., light-emitting diodes for low-power-consumption displays, photocatalysis, single-photon emitters).
At present, only the synthesis of metal chalcogenide NPLs has been mastered. These materials either contain toxic elements (CdSe, HgTe, etc.) or have a large bandgap (ZnS, ZnSe). For these reasons, the development of synthesis methods for III-V semiconductor NPLs, such as InP, InAs and InSb is currently a major challenge. In this thesis, we will develop new synthetic approaches for the growth of InP NPLs, exploring different avenues and using in situ characterizations as well as machine learning assisted design of experiments. Numerical simulations will be used to determine the reactivity of precursors and to model the mechanisms inducing anisotropic growth.
Monitoring and modeling the evolution of microstructural properties during the fabrication of MOX fuel
The nuclear fuel MOX (Mixed OXide), a ceramic obtained from a mixture of uranium and plutonium oxides, represents a strategic alternative for the valorization of plutonium resulting from the reprocessing of spent fuel. MOX pellets are produced industrially using a powder metallurgy process combined with material densification through high-temperature sintering. The rejected products are reintroduced into the process in the form of "chamotte" powder. Yet, the influence of the content and nature of this chamotte on the microstructural stability of the material remains poorly understood, particularly during the pressing and sintering stages. This aspect is critical for both the mechanical integrity and the in-reactor behavior of MOX fuels. A better understanding of these phenomena, combined with refined modeling, would make it possible to optimize industrial processes and ultimately improve the reliability of these fuels.
The objective of this PhD project is to study and model the evolution of the microstructural properties of MOX fuel as a function of the proportion and nature of the chamotte added during fabrication. The thesis strategy will rely on an integrated approach combining experimental studies with numerical simulations. It will be based on multi-scale characterization of the microstructure, coupling imaging and spectroscopy techniques, as well as on the three-dimensional reconstruction of the microstructure from experimental 2D images. The ultimate goal is to establish a link between the elastic properties of the material and its microstructure. This work will build on a combined experimental and modeling approach, bringing together the expertise of the supervisory team for experiments on plutonium-bearing materials, and for numerical modeling (micromechanical modeling, FFT-based calculations).
At the end of this PhD, the graduate student, with initial training in the physical chemistry of materials, will master a wide range of experimental techniques as well as advanced numerical modeling methods applied to ceramic materials. These skills will open up many job opportunities in academic research or industrial R&D, both within and outside the nuclear sector.
Development of functionalized supports for the decontamination of complex surfaces contaminated by chemical agents
In the case of contamination by a toxic chemical agent, treatment begins with rapid emergency decontamination. Those working in the field must take into account the risk of contamination transfer, in particular by wearing suitable protective clothing. These clothing, as well as the small equipment used, must then be decontaminated before considering undressing to avoid self-contamination. The procedure includes a “dry” decontamination phase generally by applying powders (often clays) which are then wiped off using a glove or sponge. However, this device does not neutralize chemical contaminants and the powder re-aerosolizes easily, so its use is limited to unconfined and ventilated environments. The objective of this thesis is to develop an alternative technology for the decontamination of complex surfaces (clothing, small equipment). We propose to study the functionalization of different supports (such as gloves, wipes, microfibers, sponges, hydrogels, etc.) by adsorbent particles (zeolites, ceramic oxides, MOFs, etc.). A preliminary bibliographic study will allow us to select the most suitable adsorbents and supports for the capture of model chemical agents. The work will focus on the preparation of the supports, and different ways of incorporation of the particles in/on these supports will be compared. The materials will be characterized (incorporation rate, homogeneity, mechanical strength, non-reaerosolization, etc.), then their transfer, sorption and inactivation properties will be evaluated with model molecules.
This subject is aimed at dynamic chemists, motivated by the multidisciplinarity (chemistry of mineral and/or polymer materials, solid characterization and analytical chemistry), and having a particular interest in the development of experimental devices. The candidate will work within the Supercritical Processes and Decontamination Laboratory at the Marcoule site, and will benefit from the laboratory's expertise in decontamination and the development of adsorbent materials, as well as the support and expertise of the ICGM institut in Montpellier on functional polymers and hydrogels. The student will interact with the laboratory's technicians, engineers, doctoral students and post-doctoral fellows. The doctoral student will be involved in the different stages of the project, the reporting and publication of its results, and the presentation of its work in conferences. He/She will develop solid knowledge in the fields of nuclear and environmental science, as well as in project management.
Study of impurity transport in negative and positive triangularity plasmas
Nuclear fusion in a tokamak is a promising source of energy. However, a question arises: which plasma configuration is most likely to produce net energy? In order to contribute to answering this, during this PhD, we will study the impact of magnetic geometry (comparison between positive and negative triangularity) on the collisional and turbulent transport of tungsten (W). The performance of a tokamak strongly depends on the energy confinement it can achieve. The latter degrades significantly due to turbulent transport and radiation (primarily from W). On ITER, the tolerated amount of W in the core of the plasma is about 0.3 micrograms. Experiments have shown that the plasma geometry with negative triangularity (NT) is beneficial for confinement as it significantly reduces turbulent transport. With this geometry, it is possible to reach confinement levels similar to those of the ITER configuration (H-mode in positive triangularity), without the need for a minimum power threshold and without the associated plasma edge relaxations. However, questions remain: what level of W transport is found in NT compared to a positive geometry? What level of radiation can be predicted in future NT reactors? To contribute to answering these questions, during this PhD, we will evaluate the role of triangularity on impurity transport in different scenarios in WEST. The first phase of the work is experimental. Subsequently, the modeling of impurity transport will be carried out using collisional and turbulent models. Collaboration is planned with international plasma experts in NT configurations, with UCSD (United States) and EPFL (Switzerland).
Metallurgy under extreme conditions
The microstructure-properties relationship is a core concept of metallurgy, and of materials engineering in general. For instance, the hardness of quenched steels emerges from their martensitic microstructure, induced by a phase change in iron. Here we are concerned about metallurgy under extreme conditions in which metallic samples undergo pressurizations in the 100 GPa (=1 million atmospheres) range, making it possible to synthesise new crystalline phases with potentially interesting properties (hardness, magnetism, etc.).
Studied systems will include tin, then indium and cobalt. The three of them exhibit a rich polymorphism under high pressure and temperature. We will seek to elucidate the role of defects such as twinning and plasticity on the mechanism and kinetics of these transitions. This will be done by comparing experimental observations with microstructure predictions obtained through mesoscopic simulation. High pressure/ high temperature will be mainly generated by laser-heated diamond anvil cells, and characterisation tools will include in situ X-ray imaging by diffraction and tomography, as well as electron microscopy. The X-ray sources used will be synchrotron sources and the European free-electron X-ray laser.
Development of theoretical Raman spectra with application on minerals from the surface of Mars
As we push the boundaries of space exploration with new missions to nearby planets, improving our investigation tools is crucial. Mars rovers have revealed a surface mineralogy unlike anything on Earth, shaped by the planet’s former hydrosphere followed by an extended dry and cold environment. For example, this favors the formation of perchlorates, or mixed silicate–salts glassy phases — minerals that are difficult to synthesize and stabilize on Earth but remain surprisingly stable on Mars. Recent Raman spectrometry data confirms their presence, highlighting an opportunity for deeper research. Understanding these minerals could offer new insights into Martian chemistry and planetary evolution.
Here we want to calculate the theoretical Raman spectra of perchlorates and other Martian minerals using the density functional perturbation theory (DFPT) as implemented in the ABINIT package. We want to obtain not only the position and the intensity of the peaks, but also the peak widths. They are necessary to correctly identify between similar spectra and to assess, by integration, the actual intensity of the peaks, which are directly comparable to experimental values on the field. These allow us to choose the representative peaks that can be used in identification and to analyze the displacement patterns associated with the vibrations. The results of our simulations will be compared and interpreted in the light of measurements performed by the current rovers on the surface of Mars.
For this, we need to implement several third- and fourth-order derivatives of the energy. This will be done as a series of DFPT terms, where the perturbations can be atomic displacements or electric fields. We will use a combination of the 2n+1 theorem and finite differences. The implementation will be done within the "Projector Augmented-Wave" approach (PAW) to DFT. The entire development effort will be integrated into the ABINIT package and made available to the entire community. ABINIT (www.abinit.org) is a highly visible international collaborative project for ab initio simulations based on DFT and DFPT. The computed spectra will be made available to the community via the WURM database.
The successful candidate will be co-advised between the IPGP (Paris) and the CEA (Bruyères-le-Chatel, S of Paris) groups. IPGP is a world-renowned geosciences research institute founded in 1921, associated with the CNRS, a component of the Université Paris Cité and employing more than 500 people. The group of Razvan Caracas is highly active in computational mineralogy, study of matter at extreme conditions, and planetology. The Quantum simulation of Matter group at CEA Bruyères-le-Chatel led by Marc Torrent is a main developer of the ABINIT package, highly active in density functional theory, projector augmented-wave, and high-performance computing.
Attosecond photoemission spectroscopy of molecular gases and liquids
The aim of the thesis is to perform attosecond photoemission spectroscopy on molecules in the gas and liquid phase exploiting a novel high repetition rate Ytterbium laser system. These studies will unveil the processes of photoionization of inner/outer shells and the dynamics of electron scattering in real time.
Magnetic Tunnel Junctions at Boundaries
Spin electronics, thanks to the additional degree of freedom provided by electron spin, enables the deployment of a rich physics of magnetism on a small scale, but also provides breakthrough technological solutions in the field of microelectronics (storage, memory, logic, etc.) as well as for magnetic field measurement.
In the field of life sciences and health, giant magnetoresistance (GMR) devices have demonstrated the possibility of measuring the very weak fields produced by excitable cells on a local scale (Caruso et al, Neuron 2017, Klein et al, Journal of Neurophysiology 2025).
Measuring the information contained in the magnetic component associated with neural currents (or magnetophysiology) can, in principle, provide a description of the dynamic, directional and differentiating neural landscape. It could pave the way for new types of implants, thanks to their immunity to gliosis and their longevity.
The current bottleneck is the very small amplitude of the signal produced (<1nT), which requires averaging the signal in order to detect it.
Tunnel magnetoresistances (TMR), in which a spin-polarised tunnel current is measured, offer sensitivity performance that is more than an order of magnitude higher than GMR. However, they currently have too high a level of low-frequency noise to be fully beneficial, particularly in the context of measuring biological signals.
The aim of this thesis is to push back the current limits of TMRs by reducing low-frequency noise, positioning them as break sensors for measuring very weak signals and exploiting their potential as amplifiers for small signals.
To achieve this objective, an initial approach based on exploring the materials composing the tunnel junction, in particular those of the so-called free magnetic layer, or on improving the crystallinity of the tunnel barrier, will be deployed. A second approach, consisting of studying the intrinsic properties of low-frequency noise, particularly in previously unexplored limits, at very low temperatures where intrinsic mechanisms are reached, will guide the most promising solutions.
Finally, the most advanced structures and approaches at the state of the art thus obtained will be integrated into devices that will provide the building blocks for going beyond the state of the art and offering new possibilities for spin electronics applications. These elements will also be integrated into systems for 2D (or even 3D) mapping of the activity of a global biological system (neural network) and for evaluating capabilities for clinical cases (such as epilepsy or motor rehabilitation).
It should be noted that these improved TMRs may have other applications in the fields of physical instrumentation, non-destructive testing, and magnetic imaging.
Electronic excitations in unidimensional nano-objects: an ab initio description and connection with quantum entanglement
Understanding the electronic properties of valence electrons in nano-objects is not only of fundamental interest but also essential for the design of next-generation optoelectronic devices. In such systems, electron confinement in low-dimensional structures gives rise to unique properties.
These properties are inherently linked to fundamental characteristics of matter and the associated quantum fluctuations. More recently, concepts such as quantum entanglement and Fisher quantum information have been connected to spectroscopic properties. On the other hand, these spectroscopic properties can be probed through experimental techniques, including absorption, photoemission, and inelastic X-ray scattering.
Recently, we demonstrated that the widely used formalism to study isolated nano-objects was not adapted, and that it affected the calculated optical properties. We evidenced, theoretically and experimentally, that for the two-dimensional objects, the optical response contained, beyond the transverse contribution, a resonance coming from the plasmon, which corresponds to a longitudinal response. The role of the interfaces revealed to be determinant. The project of this year is to have a critical analysis of the optical properties of unidimensional objects.
Beyond the fundamental characterization of the 1D dielectric function, this research will explore its connection to quantum entanglement and Fisher quantum information—concepts that, to date, have not been investigated in low-dimensional systems.
Physico-chemical coupling between a bubbles population and the oxido-reduction of glass-forming liquid
The calcination-vitrification process is the solution used in France for more than 30 years for the conditioning of high-level nuclear waste resulting from the reprocessing of spent fuel. During the vitrification process, the waste is incorporated into a borosilicate glass-forming liquid at more than 1000°C. The glass-forming liquid is homogenized in temperature and composition by stirring and gas bubbling. The incorporation of waste into glass-forming liquid can also lead to gas releases, including those of oxygen resulting from redox reactions between species dissolved in the liquid. It is important to properly control the impact of these gases on the glass and the process.
The redox state of glass-forming liquid at equilibrium between the dissolved species has been the subject of various studies at the CEA in the context of the vitrification of nuclear waste. On the other hand, few studies have been devoted to the kinetics of gas reactions in glass-forming liquid. The objective of this thesis aims to study and model the impact of gas bubbles, whatever their nature, on the redox of melting and the kinetics of associated reactions. An approach combining experimentation and digital modeling will be adopted.
The desired candidate will have a taste for experimentation, characterization and interpretation of results addressing different scientific fields (physico-chemistry of materials, electrochemistry). All experiments will be carried out on non-radioactive elements and will involve processing by digital modeling. This PhD thesis will allow acquiring valuable professional experience in the glass and nuclear industry.