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Atomistic reconstruction of pyrocarbons nanostructure from HRTEM data

Abstract : 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.
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Contributor : Jean-Pierre da Costa <>
Submitted on : Wednesday, June 3, 2009 - 5:39:07 PM
Last modification on : Friday, January 25, 2019 - 3:14:06 PM


  • HAL Id : hal-00391352, version 1


Jean-Marc Leyssale, Gérard Vignoles, Raphael Vitti, Jean-Pierre da Costa, Christian Germain, et al.. Atomistic reconstruction of pyrocarbons nanostructure from HRTEM data. Carbon 2009, Jun 2009, France. pp.#522. ⟨hal-00391352⟩



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