Discrete to continuous crossover characterization of interfaces in high-performance materials

6 months

LEM3 (Laboratoire d'Étude des Microstructures et de Mécanique des Matériaux), Metz

Personnes à contacter par le candidat

julien.guenole@univ-lorraine.fr -


In this internship, we propose to use state of the art molecular static and molecular dynamic simulations based on semi-empirical potentials with the software LAMMPS, in order to obtain the atomistic structure of selected grain boundaries and interfaces in pure metals, lightweight Mg alloys and highperformance intermetallics [3,4]. These interfacial configurations will be employed in a “bottom-up” approach to determine an accurate continuum field description based on dislocations, generalized-disclinations, etc. Within this internship, we aim at building the foundation of a generalized discrete-to-continuum crossover characterization for interfacial plasticity in high-performance materials.