Simulation of a porous medium subjected to high speed impacts

The control of the dynamic response of complex materials (foam, ceramic, metal, composite) subjected to intense solicitations (energy deposition, hypervelocity impact) is a major issue for many applications developed and carried out French Atomic Energy Commission (CEA). In this context, CEA CESTA is developing mathematical models to depict the behavior of materials subjected to hypervelocity impacts. Thus, in the context of the ANR ASTRID SNIP (Numerical Simulation of Impacts in Porous Media) in collaboration with the IUSTI (Aix-Marseille Université), studies on the theme of modeling porous materials are conducted. They aim to develop innovative models that are more robust and overcome the theoretical deficits of existing methods (thermodynamic consistency, preservation of the entropy principle). In the context of this post-doc, the candidate will first do a literature review to understand the methods and models developed within IUSTI and CEA CESTA to understand their differences. Secondly, he will study the compatibility between the model developed at IUSTI and the numerical resolution methods used in the hydrodynamics computing code of the CEA CESTA. He will propose adaptations and improvements of this model to take into account all the physical phenomena that we want to capture (plasticity, shear stresses, presence of fluid inclusions, damage) and make its integration into the computation code possible. After a development phase, the validation of all this work will be carried out via comparisons with other existing models, as well as the confrontation with experimental results of impacts from the literature and from CEA database.

Design of 2D Matrix For Silicum Quantum computing with Validation by Simulation

The objective is to design a 2D matrix structure for quantum computing on silicon in order to consider structures of several hundred physical Qubits.

In particular the subject will be focused on:
- The functionality of the structure (Coulomb interaction, RF and quantum)
- Manufacturing constraints (simulation and realistic process constraint)
- The variability of the components (Taking into account the variability parameter and realistic defectivity)
- The constraints induced on the algorithms (error correction code)
- Scalability of the structure to thousands of physical Qubits

The candidate will work within a project of more than fifty people with expertise covering the design, fabrication, characterization and modeling of spin qubits as well as related disciplines (cryoelectronics, quantum algorithms, quantum error correction, …)

CFD modeling of gas movements in salt cavities

Computational statistics for post-flight analysis in atmospheric reentry

The post-doctorate corresponds to the context of flight tests of an instrumented vehicle (space shuttle, capsule or probe) which enters into the atmosphere. The aim is to reconstruct, from measurements (inertial unit, radar, meteorological balloon, etc.), the trajectory and various quantities of interest, in order to better understand the physical phenomena and to validate the predictive models. We focus on Bayesian statistics, associated with Markov chain Monte Carlo (MCMC) methods. The post-doctoral fellow will develop and extend the proposed approach and will benefit from a scientific collaboration with Audrey Giremus, professor at the University of Bordeaux and specialist in the field. We will in particular try to increase the performance of high dimensional sampling. Special attention will be paid to the machine learning issue of the exploitation of an aerological database. The final objective will consist in developping an evolving software prototype dedicated to the post-flight analysis of flight tests, that exploits the various sources of information. The evaluations will be based on simulated and real data, with comparison to existing tools. The collaboration work will lead to scientific communications and publications.

Effect of TSV presence on BEOL reliability for 3-layer stacked CMOS image sensor (CIS)

Because conventional downsizing based on the empirical Moore's law has reached its limitations, an alternative integration technology, such as three-dimensional integration (3DI) is becoming the mainstream. The 3rd generation of CMOS image sensor (CIS) stacks up to 3 die interconnected by hybrid bonding and High Density Through Silicon Vias (HD-TSVs). Devices and circuits good functioning and integrity have to be maintained in such an integration especially in the close neighborhood of TSVs. Thermal budget, copper pumping, thin wafer warpage can lead to electrical yield and reliability concerns and must be investigated.
The work consists in evaluating the impact of TSV processing and proximity on BEOL and FEOL performance and reliability. Acquired data sets will help to define design rules and in particular a potential Keep-Out Zone (KOZ) and calibrate a finite element model (FFM).

Development and application of Inverse Uncertainty Quantification methods in thermal-hydraulics within the new OECD/NEA activity ATRIUM

Within the Best Estimate Plus Uncertainty methodologies (BEPU) for the safety analysis of the Nuclear Power Plants (NPPs), one of the crucial issue is to quantify the input uncertainties associated to the physical models in the code. Such a quantification consists of assessing the probability distribution of the input parameters needed for the uncertainty propagation through a comparison between simulations and experimental data. It is usually referred to as Inverse Uncertainty Quantification (IUQ).
In this framework, the Service of Thermal-hydraulics and Fluid dynamics (STMF) at CEA-Saclay has proposed a new international project within the OECD/NEA WGAMA working group. It is called ATRIUM (Application Tests for Realization of Inverse Uncertainty quantification and validation Methodologies in thermal-hydraulics). Its main objectives are to perform a benchmark on relevant Inverse Uncertainty Quantification (IUQ) exercises, to prove the applicability of the SAPIUM guideline and to promote best practices for IUQ in thermal-hydraulics. It is proposed to quantify the uncertainties associated to some physical phenomena relevant during a Loss Of Coolant Accident (LOCA) in a nuclear reactor. Two main IUQ exercises with increasing complexity are planned. The first one is about the critical flow at the break and the second one is related to the post-CHF heat transfer phenomena. A particular attention will be dedicated to the evaluation of the adequacy of the experimental databases for extrapolation to the study of a LOCA in a full-scale reactor. Finally, the obtained input model uncertainties will be propagated on a suitable Integral Effect Test (IET) to validate their application in experiments at a larger scale and possibly justify the extrapolation to reactor scale.

Thermo-aeraulic numerical simulation of an incineration reactor

An incineration and vitrification process devoted to the treatment of apha contaminated organic/metallic wastes originating from MOX production facilities is currently under development at the LPTI laboratory (Laboratoire des Procédés Thermiques Innovants) from the CEA of Marcoule. The development program relies on full scale mock-up investigation tests as well as 3D numerical simulation studies.
The thermo-aeraulic model of the incinerator reactor, developed with the Ansys-Fluent commercial software, is composed of several elementary bricks (plasma, pyrolysis, combustion, particle transportation).
The proposed work consists in improving the model, in particular as regards the pyrolysis and combustion components : chemical reactions, unsteady process… The degree of representativeness of the model will be assessed on the basis of a comparative study using experimental data coming from experiments carried out on the prototype reactor. Besides this development work, various parametric studies will be performed in order to evaluate the impact of various reactor design modifications.
So as to investigate the radiologic behaviour of the reactor during incineration of alpha contaminated wastes, a particle transport model (DPM) associated to a parietal interaction model will be implemented. The simulation results will be compared to experimental data obtained from the analysis of deposits collected on reactor walls (experimental tests are performed with actinides inactive surrogates).

Theoretical and experimental studies of the polarized light's propagation into OLED structure

In collaboration with chemists from CEA Saclay and the University of Rennes, Leti's LCEM laboratory is interested in new chiral molecules for OLED (Organic Light Emitting Device) sources able to emit circularly polarized light (CP). The interest of these CPOLED sources is multiple and encompasses both micro-screens and healthcare applications. While the state of the art is quite extensive on the chemical part, few studies have looked at the generation and transport of light in CPOLEDs components.Likewise, the conditions for measuring the polarity of the light emitted are not very detailed in the existing literature.
At the LCEM laboratory, where these chiral molecules are integrated into CPOLED devices, the goal is to design OLED architectures that can better preserve the polarization of light. To do this, it is essential to understand the propagation of light in OLED stacks from a theoretical and experimental point of view. This work is part of a larger collaboration set up in the ANR "i-chiralight" project.
In this context, we are proposing a study which will take place in two phases.
- Study of simple emitting materials: The materials to be studied will be thin layers deposited under vacuum using evaporation's system of thin layers available in the laboratory. The organic materials used will be supplied by our chemical partners in Saclay or Rennes. Optical characterizations such as ellipsometry,photoluminescence, etc. will be carried out in order to assess the performance of molecules in terms of emission efficiency but also in terms of the rotational power of light. For this last point, a model able to calculate all the terms of the Müller matrices is under development and the validation of this one will be a work to be carried out by the post-doctoral fellow.
- Study of complete OLED components: In the second phase of this work, we will focus on the complete OLED system by studying the propagation of optical modes in the stack of the different layers const

Experimentation and numerical simulation of lithium battery thermal runaway

In the current Energy transition context, the lithium battery is an essential technology to address the strong challenge of the electrical energy storage. However, Li battery severe solicitations/loadings can lead to a thermal runaway phenomenon, which can cause an outbreak of fire, even an explosive combustion of the cell or of the whole battery pack. If this phenomenon is well known, the research and development dedicated to the battery safety is emerging and must be consolidated. The post-doctorate global objective is to develop a numerical modelling and simulation strategy for thermal runaway occurring when a Li battery is subjected to mechanical/thermal/electrical abuse, in order to gain an understanding of the phenomenon, estimate the thermal spreading risk as a result of gas combustion, or study the runaway mechanical consequences (fluid structure interaction). This strategy relies on physical testing campaigns carried out as part of the post-doctorate, and on numerical tools developed by CEA (EUROPLEXUS, Cast3M). The work will be organised into three main content areas: Understanding and modelling of the phenomena on the basis of experimental tests (shock tube, abusive tests), Development of a numerical model representative of identified phenomena, Modelling including fluid-structure interaction (case deformation due to pressure increase).

Development and optimization of adaptive mesh refinement methods for fluid/structure interaction problems in a context of high performance computing

A new simulation code for structural and compressible fluid mechanics, named Manta, is currently under development at the french CEA. This code aims at both unifying the features of CEA’s legacy implicit and explicit codes and being natively HPC-oriented. With its many numerical methods (Finite Elements, Finite Volumes, hybrid methods, phase field, implicit or explicit solvers …), Manta enables the simulation of various static or dynamic kinds mechanical problems including fluids, structures, or fluid-structure interactions.

When looking for optimizing computation time, Adaptive Mesh Refinement (AMR) is a typical method for increasing numerical accuracy while managing computational load.

This postdoctoral position aims at defining and implementing parallel AMR algorithms in a high performance computing context, for fluid/structure interaction problems.

In a preliminary step, the functionalities for hierarchical AMR, such as cell refinement and coarsening, field transfers from parents to children cells, refinement criteria or hanging nodes management, will be integrated in Manta. This first work will probably rely on external libraries that should be identified.

In a second step, the distributed-memory parallel performances will be optimized. Especially, strategies for load balancing between the MPI processes should be studied, especially for fluid/structure interaction problems.

Finally, especially for explicit in time computations, one will have to define and implement spatially adapted time stepping to cope with the several levels of refinement and the different wave propagation velocities.

These last 2 points will give rise to some publications in specialized scientific journals.

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