Implicit/explicit transition for numerical simulation of Fluid-Structure Interaction problems treated by immersed boundary techniques

In many industrial sectors, rapid transient phenomena are involved in accident scenarios. An example in the nuclear industry is the Loss of Primary Coolant Accident, in which an expansion wave propagates through the primary circuit of a Pressurized Water Reactor, potentially vaporizing the primary fluid and causing structural damage. Nowadays, the simulation of these fast transient phenomena relies mainly on "explicit" time integration algorithms, as they enable robust and efficient treatment of these problems, which are generally highly non-linear. Unfortunately, because of the stability constraints imposed on time steps, these approaches struggle to calculate steady-state regimes. Faced with this difficulty, in many cases, the kinematic quantities and internal stresses of the steady state of the system under consideration at the time of occurrence of the simulated transient phenomenon are neglected.

Furthermore, the applications in question involve solid structures interacting with the fluid, undergoing large-scale deformation and possibly fragmenting. A immersed boundary technique known as MBM (Mediating Body Method [1]) recently developed at the CEA enables structures with complex geometries and/or undergoing large deformations to be processed efficiently and robustly. However, this coupling between fluid and solid structure has only been considered in the context of "fast" transient phenomena treated by "explicit" time integrators.

The final objective of the proposed thesis is to carry out a nominal regime calculation followed by a transient calculation in a context of fluid/immersed-structure interaction. The transient phase of the calculation is necessarily based on "explicit" time integration and involves the MBM fluid/structure interaction technique. In order to minimize numerical disturbances during the transition between nominal and transient regimes, the calculation of the nominal regime should be based on the same numerical model as the transient calculation, and therefore also rely on an adaptation of the MBM method.

Recent work defined an efficient and robust strategy for calculating steady states for compressible flows, based on "implicit" time integration. However, although generic, this approach has so far only been tested in the case of perfect gases, and in the absence of viscosity.

On the basis of this initial work, the main technical challenges of this thesis are 1) to validate and possibly adapt the methodology for more complex fluids (in particular water), 2) to introduce and adapt the MBM method for fluid-structure interaction in this steady-state calculation strategy, 3) to introduce fluid viscosity, in particular within the framework of the MBM method initially developed for non-viscous fluids. At the end of this work, implicit/explicit transition demonstration calculations with fluid-structure interaction will be implemented and analyzed.

An internship can be arranged in preparation for thesis work, depending on the candidate's wishes.

[1] Jamond, O., & Beccantini, A. (2019). An embedded boundary method for an inviscid compressible flow coupled to deformable thin structures: The mediating body method. International Journal for Numerical Methods in Engineering, 119(5), 305-333.

Fractures of metal plates due to impacts: dynamic cracking and perforation

Turbulence synthesization methods for hybrid URANS/LES CFD approaches in multi-scale simulation of nuclear cores

Problem description: Fluid-structure interactions in nuclear reactor cores are a result of mechanisms occurring at different space scales. The component scale represents the global flow inside the core and is generally simulated though porous media methods. The local scale represents the fuel assembly: it requires CFD scale-resolving methods to calculate consistent fluid forces on the structures, and it features a certain degree of fluid-structure coupling. With the goal of performing multi-scale simulations of a core, the local scale requires the generation of boundary conditions from the component scale. This can be achieved only by a synthetic generation of turbulence, based on the flow results at the component scale. However, the porous media approach used at the component scale does not contain details on the turbulent quantities: the development of new numerical methods is required for generating consistent synthetic turbulence in this configuration.
Objectives:
1. Identify proper hybrid URANS/LES approaches for fuel assembly vibration related issues
2. Identify available turbulence parameters in porous media methods and explore bottom-up scaling approaches
3. Develop a turbulence synthesization method applicable to any fuel array inside a core
Expected results:
1. A novel approach for fluid-induced vibration analysis based on a multi-scale method
2. Clarify the key parameters to generate proper turbulence-resolved boundary conditions in the specific configuration studied
3. Validate the new methods on available experimental configurations

Dynamic clamping of hygrogen fuel cells: experimental and numerical simulation approach

The impact of the clamping of PEMFC stacks has been demonstrated by the publication of numerous experimental measurements. Passive clamping systems were developped to garantee the minimum elasticity necessary notably during temperature changes or to improve the stress distribution. The new components are finer and finer presenting a reduced elasticity range, moreover latest publications demonstrate the impact of clamping on the deformation and performance of few microns thick active layers and it should be a major improvement to integrate an accurate dynamic clamping.
The first aim of the phD is to study experimetally the impact of the dynamic control of the clamping on the performances of stacks. These tests will be performed with stacks integrating either stamped metallic bipolar plates: the reference technology, or printed cells: the new technology in development at CEA. In parallel, the candidate will learn the model, actually under development thanks to a phD, simulating stresses and deformations, and the associated multiphysic parameters such as porosity or electric resistance, in function of clamping.
Thanks to the synthesis of these experimental and numerical results the candidate will improve the undertanding of the impact of the clamping and will propose solutions to improve notably the durability which is a critical point for our ongoing european or industrial projects.
In function of the phD progress, vibratory tests could be performed to evaluate the potential input of mechanical spectroscopy, notably for diagnosis.

In situ 3D visualization and modeling of grain growth during solidification of 316L steel in welding and additive manufacturing processes

CEA is currently carrying out R&D studies to assess the potential of Additive Manufacturing (AM) processes using wire deposition (WAAM and WLAM) for 316L steel, a material used in the manufacture of a large number of components. These processes are similar to the welding techniques currently used in the manufacture and repair of parts for the nuclear industry. Microstructures with a strong crystallographic texture are often obtained after welding or additive manufacturing, leading to highly anisotropic mechanical behaviors, and the prediction of these microstructures is also a key element in ensuring the reliability of non-destructive testing of parts manufactured in this way.

The aim of the thesis, which will be based on a coupled experimental/simulation approach, is to gain a better understanding of the main physical phenomena involved in solidification, in particular grain growth.

To this end, an original approach to characterizing these phenomena will be conducted on the basis of an innovative instrumented test, with the aim of obtaining a high-resolution quasi-3D view of the molten zone during solidification. The results of the experimental approach will enrich the physical models of solidification, already implemented in a 3D CA-FE (Cellular Automaton-Finite Element) model, combining a Cellular Automata (CA) approach and thermal or multiphysics modeling (FE) of the molten bath, to simulate the solidification microstructures resulting from additive manufacturing and welding processes.

Study of the influence of the microstructure of a 316L steel produced by the L-PBF process on its mechanical properties: characterization and modeling of creep and fatigue behavior

Research into additive manufacturing for the nuclear industry shows that the production of 316L austenitic steel components using laser powder bed fusion (L-PBF) presents technical challenges, including process control, material properties, qualification and prediction of mechanical behaviour under service conditions. The final properties differ from traditional processes, often exhibiting anisotropy that challenges existing design standards.
These differences are linked to the unique microstructure resulting from the L-PBF process. Controlling the manufacturing chain, from consolidation to qualification, requires an understanding of the interactions between process parameters, microstructure and mechanical properties.
The aim of this thesis is to study the relationships between the microstructure, texture and mechanical properties of 316L steel manufactured by the L-PBF process, under static or cyclic loading. This includes the influence on creep and fatigue properties, and the development of a model to predict mechanical behaviour. Using samples of 316L steel with specific microstructures consolidated by L-PBF, the proposed study aims to establish links between microstructure and mechanical properties to better predict in-service behaviour.

Polycrystalline numerical simulations of the mechanical behavior of fuel rod cladding used in pressurized water reactors

The fuel rods of pressurized water nuclear reactors are made of uranium oxide pellets stacked in zirconium alloy tubes. In reactor, these materials undergo mechanical loading that lead to their irreversible deformation. In order to guarantee the safety and increase the performance of nuclear reactors, this deformation must be modeled and predicted as precisely as possible. In order to further improve the predictivity of the models, the polycrystalline nature of these materials as well as the physical deformation mechanisms must be taken into account. This is the objective of this study, which consists of developing a physically based multi-scale numerical model of the fuel rod cladding.
The mechanical behavior of metallic materials is usually modeled by considering the material as homogeneous. In fact metallic materials are made of many crystalline grains clustered together. The behavior of the material is therefore the result of the deformation of individual grains but also their interactions between each other. In order to take into account the polycrystalline nature of the material, mean-field self-consistent polycrystalline models have been developed for many years. These models are based on the theory of homogenization of heterogeneous materials. Recently, a polycrystalline model, developed in a linear and isothermal framework, has been coupled with an axisymmetric 1D finite element calculation to simulate the in-reactor deformation of cladding tubes. A complex mechanical loading history, mimicking the stresses and strains experienced by the cladding has been simulated.
The objective of this PhD work is to extend the field of application of this model in particular by applying it to a non-linear framework in order to simulate high stress loadings, to extend it to anisothermal conditions but also to carry out 3D finite element simulations with at each element and each time step a simulation using the polycrystalline model. These theoretical and numerical developments will finally be applied to the simulation of the behavior of fuel rods in a power ramp situation thanks to its integration into a software platform used for industrial applications. This approach will allow to better assess the margins available to operate the reactor in a more flexible manner, allowing it to adapt to changes in the energy mix in complete safety.

Thermohydraulic modelisation of a steam generator and chemical species propagation

Steam generators are essential components of nuclear reactors whose main function is heat exchange. The chemical species present in steam generators are the cause of many parasitic phenomena (clogging, fouling, sludge deposition, etc.). Numerical simulation of species transport, taking into account the migration of chemical species and exchanges between species, both intra- and inter-phase, will allow a better understanding and better management of these problems. Numerical resolution of species transport systems presents real difficulties, in particular the management of the appearance and total disappearance of certain species, high void rates, as well as rapidly excessive calculation times.

While relying on the new code for nuclear components developed at STMF, the thesis will address the following three main scientific issues:
• Upstream, the analysis of numerical methods allowing in particular the management of evanescence, as mentioned above, and thermo-hydraulic modeling at high void rates. For this, we will rely on the PolyMAC and PolyVEF numerical schemes, already implemented in the component code.
• The physical modeling of a steam generator in the new component code, via the addition (in C++) of correlations specific to steam generators, the completion of the state laws already available, etc..
• The determination of the major chemical species to be transported, in order to be able to take into account both thermo-hydraulics and chemistry. The algorithmic coupling between thermo-hydraulics and chemistry, taking into account feedback, being the long-term objective.

While benefiting from the existing parallelization of the component code, the thermo-hydraulic and chemical modeling will be done taking into account the constraints on computation times.

Chemo-mechanical modeling of the coupling between carbonation, rebar corrosion and cracking in cementitious materials

Rebar corrosion is one of the main causes of premature degradation of concrete infrastructures, including in the nuclear sector, where concrete is extensively used in containment structures and waste storage facilities. Carbonation, caused by the penetration of CO2 into the concrete, lowers the pH of the pore solution, promoting rebar corrosion. This corrosion leads to the formation of expansive products that can cause cracking in the material. The proposed thesis work, developed as part of a European collaborative project between CEA Saclay, École des Mines de Paris - PSL, and IRSN, aims to develop a numerical model to simulate these phenomena. The model combines a reactive transport code (Hytec) and a finite element code (Cast3M) to study the local effects of carbonation-induced corrosion on concrete cracking. This project will benefit from parallel experimental work to gather data for parameter identification and model validation. The first part of the research will focus on modeling the carbonation of cementitious materials under unsaturated conditions, while the second part will address the corrosion of rebar caused by the pH drop induced by carbonation. The model will describe the growth of corrosion products and their expansion, inducing stress within the concrete and potential microcracking.
This research project is aimed at a PhD student wishing to develop their skills in materials science, with a strong focus on multi-physical and multi-scale modeling and numerical simulations. The thesis will be carried out principally at CEA Saclay and at École des Mines de Paris – PSL (Fontainebleau).

Improving the predictivity of large eddy simulations using machine learning guided by high-fidelity simulations

This thesis aims to explore the application of machine learning techniques to improve turbulence modeling and numerical simulations in fluid mechanics. More specifically, we are interested in the application of artificial neural networks (ANNs) for large eddy simulation. The latter is a modeling approach that focuses on the direct resolution of large turbulent structures, while modeling small scales by a subgrid-scale model. It requires a certain ratio of total kinetic energy to be resolved. However, this ratio may be difficult to achieve for industrial simulations due to the high computational cost, leading to under-resolved simulations. We aim to improve the latter by focusing work along two main axes: 1) Using ANNs to build generic sub-mesh models that outperform analytical models and compensate for coarse spatial discretization; 2) Training ANNs to learn wall models. One of the main challenges is the ability of the new models to generalize correctly in configurations different from those used during training. Thus, taking into account the different sources and quantification of uncertainties plays a vital role in improving the reliability and robustness of machine-learned models.

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