STAGE - Atomistic investigation of liquid metals in the context of nuclear accident scenarios H/F

Position description

Physics of the nucleus, atom, molecule

Internship

STAGE - Atomistic investigation of liquid metals in the context of nuclear accident scenarios H/F

Atomistic investigation of liquid metals in the context of nuclear accident scenarios

6

In the context of nuclear accident scenarios, liquid mixtures may form, containing uranium, zirconium, and elements from structural materials and the reactor vessel (such as steel). Understanding the relationship between the properties of these mixtures—particularly their viscosity—and their structural characteristics is therefore crucial.

Atomistic investigations have already been conducted on liquid uranium-zirconium mixtures, successfully establishing predictive models for these relationships. The approach used relies on developing machine-learning interatomic potentials based on ab initio calculations, which are then employed to perform large-scale classical molecular dynamics simulations. However, the lack of experimental data for these specific compositions makes it challenging to validate the proposed methodology.

During this internship, you will focus on simulating compositions that remain relevant to nuclear accident scenarios—such as zirconium-nickel or zirconium-iron—but have been more thoroughly studied experimentally. The goal is to directly compare model predictions (e.g., thermal expansion, liquid structure, and atomic diffusion) with available experimental measurements.

Your work will contribute to validating the methodologies used for simulating liquid mixtures, thereby enhancing their reliability for nuclear safety applications.

Density Functional Theory (VASP), Classical molecular dynamics (LAMMPS), ML interatomic potentials

We are seeking for a Master's degree student (M2/Bac+5/Engineering school) specializing in materials science. Basic knowledge in solid state physics, statistical mechanics, or nuclear engineering would be appreciated, but is not required.

This 6-month internship is part of the DIADEM-PEPR national project, and is designed for highly motivated candidates.

The intern will have the opportunity to collaborate closely with PhD students in our laboratory, as well as external researchers, fostering a dynamic and enriching research environment.

Position location

Cadarache

France, Provence-Côte d'Azur, Bouches du Rhône (13)

Saint-Paul Lez Durance

Candidate criteria

English (Fluent)

Bac+5 - Diplôme École d'ingénieurs

Materials science, computational physics

Oui

Requester

02/02/2026

General information

The French Alternative Energies and Atomic Energy Commission (CEA) is a key player in research, development and innovation in four main areas :

• defence and security,
• nuclear energy (fission and fusion),
• technological research for industry,
• fundamental research in the physical sciences and life sciences.

Drawing on its widely acknowledged expertise, and thanks to its 16000 technicians, engineers, researchers and staff, the CEA actively participates in collaborative projects with a large number of academic and industrial partners.

The CEA is established in ten centers spread throughout France

You will be hosted at the Fuel Behavior Modeling Laboratory (IRESNE Institute, CEA Cadarache), a dynamic research group where you will collaborate with other PhD students in the lab. The working environment is further enriched by national and international collaborations, offering you the opportunity to integrate into the research community focused on nuclear materials science.