Discrete to continuous crossover characterization of interfaces in high-performance materials
LEM3 (Laboratoire d'Étude des Microstructures et de Mécanique des Matériaux), Metz
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.