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.

Multiscale modeling of rare earth ion emission from ionic liquids under intense electric fields

The main objective of this thesis is to model the mechanisms of rare earth ion emission from ionic liquids subjected to an intense electric field, in order to identify the conditions favorable to the emission of weakly complexed ions.
The aim is to establish rational criteria for the design of new ILIS sources suitable for the localized implantation of rare earths in photonic devices.
The thesis work will be based on large-scale molecular dynamics simulations, reproducing the emission region of a Taylor cone under an electric field.
The simulations will be compared with emission experiments conducted in parallel by the SIMUL group in collaboration with Orsay Physics TESCAN, using a prototype ILIS source doped with rare earths. Comparisons of measurements (mass spectrometry, energy distribution) will enable the models to be adjusted and the proposed mechanisms to be validated.

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.

Network structures and development dynamics - from the Industrial Revolution to the Energy Transition

Networks are crucial components of complex societies and underlie successful climate-energy strategies. Nevertheless they remain relatively understudied and insufficiently understood in their dynamics as well as in their relation to resource consumption and economic prosperity.
In this doctoral project, several historical cases of physical network will be explored from an industrial ecology standpoint and in relation to energy consumption. The project will address complexity in sociotechnical network structures and uses based on a complex systems modelling approach associating statistical physics (graph theory), geography and economic history. The project will mainly focus on the transportation and energy networks and their entanglement.

A first target will be railway networks that progressively grew during the 19th century in relation to coal extraction, trade and use. Railway networks are intertwined with early-industrial sociotechnical development and paved the way to the development of road networks in the 20th century in particular on the basis of complex oil networks. The study will address the dual role of railways and road networks in the transportation of both passengers and freight of energy and materials. The growth rates, interconnections and key metrics of these networks will be jointly analyzed and compared to an equivalent analysis of electricity grids which are currently under study by members of the PhD proposal team.

Influence of a nano-antenna on the intersystem crossing rate of a single molecule

As part of the continuation of the ANR JCJC PlasmonISC project, we propose a thesis subject mainly experimental in nano-photonics. The objective of the thesis is to study the influence of a nano-antenna (plasmonic, magnetic or dielectric) on the rate governing the photophysics of fluorescence emission from a single molecule, with a particular interest in the intersystem crossing rate. We have developed a dedicated optical bench combining optical and atomic force microscopy, an experimental procedure, as well as signal processing tools, showing encouraging first results with a dielectric tip. We wish to continue to explore the single molecule/nano-antenna interaction with other types of tips generating other physical effects. The ability to control the transition to the triplet state is of great interest for single photon sources, organic light emitting diodes, and in chemistry.

Explainable AI for interpretation of Small Angle Scattering

The PhD will be conducted in two laboratories at Paris-Saclay: one group with expertise in artificial intelligence developed over many years, MIA-PS (INRAE), and another in the physics of matter – soft matter, biology – MMB-LLB (CEA/CNRS).
Small-Angle Scattering techniques (X-rays, neutrons, light) involve a constantly growing community, particularly active in France, especially in soft matter and biology. The transition of data from reciprocal space to real space is achieved via different models – in which the MMB group is an expert – whether concerning shape – sphere, rod, platelet, polymer chain – or interactions – attraction, aggregation, repulsion, arrangement. Furthermore, more complex structures, such as proteins or irregular aggregates, require computational or empirical approaches. In all cases, the results are not unequivocal. This is particularly challenging for research groups new to the technique.
In this thesis, thanks to MIA-PS's expertise in AI (machine learning, optimization, visualization), the focus will be on developing explainable AI methods. Part of the modeling involves explained mathematical and physical models, while another part relies on so-called "black box" models, which will be progressively explained. The doctoral candidate will have access to data from three use cases provided by the LLB, and to their experts, to develop a generic methodology. A first step could be based on the globally shared software SasView, a treasure trove of explicit models. We have already received a positive response from the SasView developers, which could therefore serve as a dissemination tool. A valuable contribution will be the access to complementary DPA measurements via the LLB platforms and the SOLEIL and ESRF synchrotrons.
Subsequently, a component focusing on human-computer interaction—ensuring that users remain fully responsible for constructing a physico-chemical-biological explanation—can be implemented. MIA-PS is also an expert in advanced interactive visualization methods.

This project therefore combines highly advanced developments in computer science with a wealth of real-world systems chosen for their originality and, of course, their potential applications.

New concepts for cold neutron reflectors

The CEA and the CNRS have launched an initiative to design a new neutron source using low-energy proton accelerators, the ICONE project [1]. The goal is to build a facility that will provide an instrumental suite of about ten spectrometers available to the French and European scientific community. Neutron scattering experiments require thermal and cold neutrons. The design of the moderator is therefore a crucial component of the project to maximize the source's performance.
One avenue for improving the moderator performances is to enhance the efficiency of the reflector, and more specifically, the cold neutron reflector. In this study, we propose to investigate the specific scattering properties of cold neutrons on nanostructured materials. Indeed, cold neutrons have long wavelengths (> 0.4 nm) and can therefore be coherently scattered by nanostructured materials. Scattering efficiency is not only amplified by coherent scattering effects, but it is potentially possible to direct this scattering if the reflecting material is anisotropic. This control over the scattering direction can further increase the moderator's brightness.
The first part of the work will consist of identifying the most promising nanostructured materials and modeling their cold neutron reflectivity performance. In a second step, these materials will be shaped and their properties characterized using neutron scattering devices at neutron scattering facilities such as the ILL in Grenoble or the PSI in Switzerland.

Toughening random lattice metamaterials with structure heterogeneities

To reduce the environmental and/or the energetic impact of vehicles, a favored method is to decrease the mass of prime materials used to build them, that being done without hindering their mechanical performances. In this field, the use of mechanical metamaterials has been a major breakthrough. These metamaterials, generally created using additive manufacturing techniques, have a microscopic truss structure. They are porous by design, and thus very lightweight, and the distribution of their microscopic beams or tubes (i.e. their architecture) can be chosen to make them as stiff as possible, making them choice candidates for high technology applications where the rigidity-density ratio is paramount, such as aerospatial research (https://en.wikipedia.org/wiki/Metallic_microlattice).

For the most part however, metamaterials that have been designed up to now present periodical architectures. As a consequence, their mechanical behavior is inherently anisotropic, which makes them difficult to model using material mechanics conventional approaches, and strongly limits their usage in various possible fields of applications. In recent works, we have developped a new class of microlattice metamaterials with a random spatial distribution of beams, generated with a combination of random close packing and Delaunay triangulation algorithm then 3D-manufactured. These metamaterials show an isotropic mechanical behavior, and their stiffness-density ratio reaches the theoretical limit for porous materials. They are neverheless still fragile and subject to fracture and yielding.

The aim of this PhD project is to toughen these metamaterials based on techniques and mechanisms from polymer and soft matter physics. Our hypothesis is that including in a controlled statistical way structure heterogeneities, at the node level by modulating the connectivity or at the beam level by changing their section or shape, can allow toughening of the metamaterial. Indeed, localized heterogeneities can introduce mechanical dissipations in the network at various scales. The work of this project will consist in experiementally characterizing the mechanical properties of the metamaterials and to compare them to their homogeneous equivalent, and to describe their fracture resistance. Mechanical tests will be performed on an experimental setup conceived in the SPHYNX group. Analysis of the local and global deformation will be performed using different experiemental methods, in order to detect micro crack events with precision. An additionnal theoretical approach completed by numerical simulations based on fuse network and random beam models can also be discussed.

A strong interest for instrumentation and teamwork is requested for this project with a major experimental component. Proficiencies in experimental mechanics, material sciences and/or statistical physics are desirable. Some knowledge in modelization and numerical simulations are a bonus without being required. This project has both fundamental and applied interests and can help the student find prospects both in academia and in industrial opportunities.

CONTEXT: strain - texture neutron instrumentation for ICONE

The CEA and the CNRS have launched an initiative to design a new neutron source using low-energy proton accelerators, the ICONE project. The objective is to build a facility that will offer an instrumental suite of about ten spectrometers available to the French and European scientific community. The project is currently in the Preliminary Design phase, with the aim of refining as much as possible all technical aspects.
We are proposing a PhD thesis on the modeling and development of a new neutron scattering spectrometer for measuring textures and stresses in materials. This technique makes it possible to probe residual stresses in materials after machining, heat treatment, and/or use, and to measure the crystallographic anisotropy of alloys to exploit the induced mechanical properties.
Part of the work will take advantage of the start-up of the DREAM and MAGIC spectrometers at ESS in Sweden, in which the LLB participated in the construction, so that the candidate can become familiar with time-of-flight neutron scattering techniques (measurements and data analysis).
In the second part of this work, we propose to implement statistical modulation techniques for the construction of an instrument, CONTEXT, on ICONE, which will allow to best exploit the potential of ICONE's long pulses. The objective will be to create a digital twin of the future instrument using various Monte Carlo simulation tools.

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