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. 

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.