An atomistic reconstruction of the nanostructure of pyrolitic carbons guided by HRTEM data
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Communication dans un congrès
Este ítem está publicado en
MRS Symp. Proc., Symposium NN — Advanced Microscopy and Spectroscopy Techniques for Imaging Materials with High Spatial Resolution, 2009-11-30, Boston. 2009, vol. 1231, p. 50-59
Resumen en inglés
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 threedimensional extension through image synthesis ...Leer más >
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 threedimensional extension through image synthesis under constraint. The resulting 3D images then serve as an external potential bringing the atoms to settle preferentially on the white 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.< Leer menos