Separation microsystem coupled to mass spectrometry for on-line purification and characterisation of nuclear samples
The miniaturisation of analytical steps commonly carried out in laboratories offers many advantages and particularly in the nuclear sector, where the reduction of material consumption and waste production is of major interest. In this context, one of our laboratory’s focus area is the miniaturisation of analytical tools, particularly chromatographic separation techniques. The aim of this project is to reduce the scale of the purification steps of nuclear samples by solid phase extraction chromatography, prior to the analytical processes. Obtaining these miniaturised extraction devices is based on the in situ synthesis and anchoring of monoliths, in the channels of cyclic olefin copolymer (COC) microsystems. Since this material is chemically inert, COC functionalisation strategies are currently under development to covalently graft reactive sites on its surface, before locally anchoring actinide-specific monoliths in the micro-channels. The aim is to design and fabricate chromatographic extraction microsystems in COC, and to implement them for chemical purification and mass spectrometry measurements, both off-line and on-line.
Experimental and technological developments of a process for the mineralization of organic liquid waste by plasma
The ELIPSE process developed at the CEA allows the destruction of organic liquids by injection into a high-power plasma.
If the feasibility of destroying different organic components at flow rates of a few liters per hour has now been demonstrated, tests must now be further developed for reference organic liquids appropriately chosen according to existing deposits.
These studies, based on the characterization data of the chosen LORs, will aim to provide detailed process results obtained with the most representative operating conditions, to allow a complete and quantitative evaluation of the process. This will make it possible to establish operating, robustness and endurance data for the process.
This work will include the study of the behavior of radioelements in the process, which will be essential for the nuclearization study: this will involve studying the physico-chemical behavior of actinides during their processing via the use of inactive simulants.
Calculation of the thermal conductivity of UO2 fuel and the influence of irradiation defects
Atomistic simulations of the behaviour of nuclear fuel under irradiation can give access to its thermal properties and their evolution with temperature and irradiation. Knowledge of the thermal conductivity of 100% dense oxide can now be obtained by molecular dynamics and the interatomic force constants[1] at the single crystal scale, but the effect of defects induced by irradiation (irradiation loop, cluster of gaps) or even grain boundaries (ceramic before irradiation) remain difficult to evaluate in a coupled way.
The ambition is now to include defects in the supercells and to calculate their effect on the force constants. Depending on the size of the defects considered, we will use either the DFT or an empirical or numerical potential to perform the molecular dynamics. AlmaBTE allows the calculation of phonon scattering by point defects [2] and the calculation of phonon scattering by dislocations and their transmission at an interface have also recently been implemented. Thus, the chaining atomistic calculations/AlmaBTE will make it possible to determine the effect of the polycrystalline microstructure and irradiation defects on the thermal conductivity. At the end of this post-doc, the properties obtained will be used in the existing simulation tools in order to estimate the conductivity of a volume element (additional effect of the microstructure, in particular of the porous network, FFT method), data which will finally be integrated into the simulation of the behavior of the fuel element under irradiation.
The work will be carried out at the Nuclear Fuel Department of the CEA, in a scientific environment characterised by a high level of expertise in materials modelling, in close collaboration with other CEA teams in Grenoble and in the Paris region who are experts in atomistic calculations. The results will be promoted through scientific publications and participation in international congresses.
References:
[1] Bottin, F., Bieder, J., Bouchet, J. A-TDE
Thermodynamic investigation of Metal-Insulator-Transition materials – The case of doped VO2 for smart windows applications
The present post-doc proposal aims to develop a specific thermodynamic database on the V-O-TM (TM=Fe,Cr) system by using the CALPHAD approach. The candidate will conduct experimental campaigns to obtain relevant data to feed the thermodynamic models. The candidate will mostly use the experimental equipment available at the lab (DTA, annealing furnaces, high temperature mass spectrometry, laser heating, SEM-EDS). In addition, the post-doc may participate to combinatorial high-throughput activities led by other laboratory of the Hiway-2-Mat consortium (e.g., ICMCB in Bordeaux), allowing a better connection between the CALPHAD simulation output and the accelerated characterization platform. The thermodynamic database will be then included in the autonomous research routine implemented in the material exploration path.
Role of metal containers on the alteration of high-level waste confinement glasses in geological storage conditions: glass-iron interactions in hydrogen-tight reactors
Vitrified waste resulting from nuclear power plant fuel reprocessing, as well as their steel containers and overpacks, are intended for permanent storage in deep geological layers. Water will be the vector of glass alteration and potential migration of radioactive elements. The most advanced storage concept to date provides for the glass package to be protected for its thermal decay step from interaction with water by an unalloyed steel overpack. However, whether in the form of metallic iron or corrosion products of steels (oxides, carbonates, sulfides), iron plays a significant role in glass alteration.
The objective of this work is to understand and quantify the mechanisms of glass-iron interaction in order to strengthen the operational models for waste package performance. To this end, a bench of ten hydrogen-tight instrumented reactors has been developed in the laboratory. It has allowed the implementation of a first series of long-term experiments of several months, which concerned a non-radioactive model glass and a iron carbonate. The objective will be to carry out these interaction experiments using metallic iron this time, to characterize the sampled solutions and neoformed alteration products, and to interpret the experiments using the modeling tools available in the laboratory.
Behavior of materials in molten salts
Access to clean and affordable Energy is a key challenge in the current context of climate emergency. Several leads have been considered for several years but technological issues remain up to date to make it happen. From concentrated solar plant to 4th generation of nuclear reactor, molten salt is a promising media (both for heat transfer fluid and the fuel itself). Nevertheless, due to the presence of impurities, molten salts are highly corrosive for commonly used materials.
Most of the commercial alloys - either nickel based or iron base - seems to suffer from rapid attack. It is then needed to broaden the scope of the studies by investigating innovative materials. Thus, a screening of materials is planned to select the most interesting ones. After a thorough filtering, a study of the corrosion mechanism will be carried out through analysis at different scales (SEM, DRX, SDL, ICP, etc … )as well via electrochemical techniques and thermodynamic modelisation (HSC and FactSage).
The aim of the post doctoral subject offered at the S2CM (Service of corrosion and Behavior of Materials) consists in the entire study of the behavior, from the sample preparation to the caracterization of corrosion products. This topic is highly experimental and goes deep in the understanding of the corrosion mechanisms. This post doc position is part of a project gathering top - Notch industrial and academics (EDF,Framatome, Orano and the CNRS). Results obtained are subject to be presented to the different partners.
Mitigation of Alkali Silica Reaction in concrete used for radwaste stabilization and solidification
Electricity production from nuclear power plants generates radioactive wastes, the management of which represents a major industrial and environmental concern. Thus, low- or intermediate - level radioactive aqueous waste streams may be concentrated by evaporation, and immobilized with a Portland cement, before being sent to disposal. Nevertheless, interactions may occur between some components of the waste and the cement phases or aggregates, and decrease the stability of the final waste forms. Thereby, the formation of a gel-like product has been recently observed on the surface of some cemented drums of evaporator concentrates which were produced in the 80’s in Belgium. This product results from a reaction between silica from the aggregates and the very alkaline pore solution of the concrete. However, its composition and rheological properties differ from those reported for alkali-silica gels in civil engineering. Extensive work has been performed to better understand the processes involved in the gel formation within the cement-waste forms and characterize its properties. Based on these results, the post-doctoral project will be focussed on the mitigation of alkali silica reaction in cement-waste forms. Two approaches will be more particularly investigated by decreasing the water saturation ratio of concrete and/or the pH of its pore solution using supercritical carbonation.
This project is intended for a post-doctoral fellow wishing to develop skills in materials science, with an interest in advancing the field of cement chemistry and improving the conditioning of radioactive waste. It will be performed in collaboration with ONDRAF-NIRAS, the Agency in charge of radioactive waste management in Belgium, and will build upon the expertise of two laboratories at CEA Marcoule: the Cements and Bitumen for Waste Conditioning Laboratory for materials elaboration and characterization, and the Supercritical and Decontamination Laboratory.
Automatic machine learning identification of nanoscale features in transmission electron microscopy images
Imaging nanoscale features using transmission electron microscopy (TEM) is key to predicting and assessing the mechanical behaviour of structural materials in nuclear reactors or in the fields of nanotechnology. These features, visible by phase contrast (nanobubbles) or diffraction contrast (dislocation loops or coherent precipitates), are prime candidates for automation. Analysing these micrographs manually is often tedious, time-consuming, non-universal and somehow subjective.
In this project, the objective is to develop a Python-based framework for data treatment of transmission electron microscopy (TEM) images.
Machine Learning approaches will be implemented in order to tackle the following tasks:
- Data collection: The success of any machine learning approach is linked to the database quality. In this project, a huge database is available. Four microscopists are involved in the project and will continuously enrich the database with images containing easily recognizable features.
- Denoising and finding the defect contour both through existing open-access software and in-house developed descriptors. Representative ROI (region-of-Interest) will be generated on images.
- Design of the Convolutional Neural Network (CNN) Architecture and model training: A collective feature map will be generated for the entire images in order to identify some representatives ROI. Each ROI is then overlaid to the original feature map and is passed to the CNN for individual region classifications. Secondly, recent advances in image segmentation will be placed in the core engine of the workflow.
- Model performance metrics: The aim is to reach a compromise between the training time and the detector performance.
The process will be applied to nanometer-sized features formed under irradiation in nuclear oriented materials (Co-free high entropy alloys (HEA), UO2) and precipitates in materials with a technological interest (coherent Cr precipitates in Cu).
Modeling silicon and germanium spin qubits
Silicon/Germanium spin qubits have attracted increasing attention and have made outstanding progress in the past two years. In these devices, the elementary information is stored as a coherent superposition of the spin states of an electron in a Si/SiGe heterostructure, or of a hole in a Ge/SiGe heterostructure. These spins can be manipulated electrically owing to the intrinsic (or to a synthetic) spin-orbit coupling, and get entangled through exchange interactions, allowing for the implementation of a variety of one- and two-qubit gates required for quantum computing and simulation. The aims of this postdoctoral position are to strengthen our understanding and support the development of electron and hole spin qubits based on Si/Ge heterostructures through analytical modeling as well as advanced numerical simulation. Topics of interests include spin manipulation & readout, exchange interactions in 1D and 2D arrays, coherence and interactions with other quasiparticles such as photons. The selected candidate will join a lively project bringing together > 50 people with comprehensive expertise covering the design, fabrication, characterization and modeling of spin qubits. He/She is expected to start early 2023, for up to three years.
Strain driven Group IV photonic devices: applications to light emission and detection
Straining the crystal lattice of a semiconductor is a very powerful tool enabling controlling many properties such as its emission wavelength, its mobility…Modulating and controlling the strain in a reversible fashion and in the multi% range is a forefront challenge. Strain amplification is a rather recent technique allowing accumulating very significant amounts of strain in a micronic constriction, such as a microbridge (up to 4.9% for Ge [1]), which deeply drives the electronic properties of the starting semiconductor. Nevertheless, the architectures of GeSn microlasers under strong deformation and recently demonstrated in the IRIG institute [2] cannot afford modulating on demand the applied strain and thus the emission wavelength within the very same device, the latter being frozen “by design”. The target of this 18 months post doc is to fabricate photonic devices of the MOEMS family (Micro-opto-electromechanical systems) combining the local strain amplification in the semiconductor and actuation features via an external stimulus, with the objectives to go towards: 1-a wide band wavelength tunable laser microsource and 2-new types of photodetectors, both in a Group IV technology (Si, Ge and Ge1-xSnx). The candidate will conduct several tasks at the crossroads between fabrication and optoelectronic characterization:
a-simulation of the mechanical operation of the expected devices using FEM softwares, and calculation of the electronic states of the strained semiconductor
b-fabrication of devices at the Plateforme Technologique Amont (lithography, dry etching, metallization, bonding), based on results of a
c-optical and material characterization of the fabricated devices (PL, photocurrent, microRaman, SEM…) at IRIG-PHELIQS and LETI.
A PhD in the field of semiconductors physics or photonics, as well as skills in microfabrication are required.
[1] A. Gassenq et al, Appl. Phys. Lett.108, 241902 (2016)
[2] J. Chrétien et al, ACS Photonics2019, 6, 10, 2462–2469