Two PhD Positions in Atomistic Simulations of Dislocation Densities at Interfaces in Metallic Alloys Centre national de la recherche scientifique in France

Two fully funded PhD positions are open at the CNRS LEM3 laboratory in Metz, France, within the ERC Consolidator Grant AtomicPIE led by Dr. Julien Guénolé. The project is centered on computational materials science, atomistic simulations, machine learning, and multi-scale modeling of microstructural interfaces and dislocation dynamics in metallic alloys.

The two thesis topics are: (1) description of microstructural interfaces by nanoscopic dislocation density, from grain boundaries to interphases; and (2) nanoscale dislocation density dynamics, from dislocations to polycrystalline alloys. The research will investigate the limits of the Nye tensor for describing interfaces, including complex grain boundaries, general grain boundaries, and defective boundaries, as well as the role of curvature, disinclination density, and local chemical distribution.

Selected candidates will work with molecular statics and dynamics, classical and machine-learning interatomic potentials, Monte Carlo / molecular dynamics approaches, and dislocation field mechanics. Tools mentioned include LAMMPS, Atomsk, Atomman, and an in-house FFT-FDM code. The work also involves building representative volume elements and datasets for materials such as Ni, Al, Cu, Ti, and Mg.

Eligibility highlights include a Master’s degree in Materials Science, Physics, Mechanical Engineering, or a related field, plus a strong background in computational materials science or atomistic simulations. Programming skills in Python and C++ and experience with simulation software are advantageous. The positions are based at CNRS LEM3 in Metz, with collaboration with SIMaP in Grenoble.

Funding is fully provided for 3 years, with a minimum salary of €2,300 per month and benefits including 44 days off, 75% transport coverage, and a mobility allowance. The start date is 1 October 2026, and the application deadline is 19 May 2026 at 23:59.