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Communication Dans Un Congrès Année : 2009

An atomistic reconstruction of the nanostructure of pyrolitic carbons guided by 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 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.
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Dates et versions

hal-00669498 , version 1 (13-02-2012)

Identifiants

  • HAL Id : hal-00669498 , version 1

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Jean-Marc Leyssale, Jean-Pierre da Costa, Christian Germain, Patrick Weisbecker, Gerard L. Vignoles. An atomistic reconstruction of the nanostructure of pyrolitic carbons guided by HRTEM data. 2009 MRS Fall Meeting Symposium NN proceedings, Nov 2009, Boston, United States. pp.50-59. ⟨hal-00669498⟩
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