Atomic scale modeling to understand how matter organizes during growth of ultrathin materials in close relation with elaboration process parameters: Climbing the scales

A multi-levels modeling approach focusing on the elaboration of directly integrated materials is described. Atomic scale calculations are conducted to identify local mechanisms occurring during the growth of material and are then used to parameterize a macroscopic code, developed to simulate vapor like deposition process. The objective is to establish the link between the microstructure of materials and the way they are achieved, i.e. process parameters.