Atomistic reconstruction of pyrocarbons nanostructure from HRTEM data
Résumé
A new method for the generation of atomistic models of dense nanotextured carbons is presented. This method is based on the statistical analysis of HRTEM images and their three-dimensional extension through image synthesis under constraint. The resulting 3D images then serve as an external potential bringing the atoms to site preferentially on the dark areas during a conventional simulated annealing simulation. Application of this method to the case of two laminar pyrocarbons, differing in their degree of disorder, highlights the promising nature of this approach.