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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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https://hal.archives-ouvertes.fr/hal-00391352
Contributor : Jean-Pierre Da Costa Connect in order to contact the contributor
Submitted on : Wednesday, June 3, 2009 - 5:39:07 PM
Last modification on : Tuesday, December 21, 2021 - 3:32:05 PM

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  • HAL Id : hal-00391352, version 1

Citation

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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