Structural features of pyrocarbon atomistic models constructed from transmission electron microscopy images
| dc.rights.license | open | en_US |
| hal.structure.identifier | Laboratoire des Composites Thermostructuraux [LCTS] | |
| dc.contributor.author | LEYSSALE, Jean-Marc | |
| hal.structure.identifier | Laboratoire de l'intégration, du matériau au système [IMS] | |
| dc.contributor.author | DA COSTA, Jean-Pierre
ORCID: 0000-0003-2390-0047 IDREF: 060561459 | |
| hal.structure.identifier | Laboratoire de l'intégration, du matériau au système [IMS] | |
| dc.contributor.author | GERMAIN, Christian
ORCID: 0000-0002-3097-8283 IDREF: 130936634 | |
| hal.structure.identifier | Laboratoire des Composites Thermostructuraux [LCTS] | |
| dc.contributor.author | WEISBECKER, Patrick | |
| hal.structure.identifier | Laboratoire des Composites Thermostructuraux [LCTS] | |
| dc.contributor.author | VIGNOLES, Gerard
IDREF: 070191875 | |
| dc.date.accessioned | 2023-10-24T07:31:06Z | |
| dc.date.available | 2023-10-24T07:31:06Z | |
| dc.date.issued | 2012-10-01 | |
| dc.identifier.issn | 0008-6223 | en_US |
| dc.identifier.uri | https://oskar-bordeaux.fr/handle/20.500.12278/184505 | |
| dc.description.abstractEn | We report on atomistic models of laminar pyrocarbons constructed using a combination of 2D high resolution transmission electron microscopy (HRTEM) lattice fringe image analysis, 3D image synthesis and atomistic simulated annealing. In a first step, the effectiveness of the method and the convergence of the models with respect to the quench rate are checked on small systems. Then, the nanostructural features of large fully carbonaceous atomistic models obtained from the HRTEM images of a rough laminar pyrocarbon, asprepared and after partial graphitization, are discussed. Both models show a very pronounced sp2 character (≥ 97%), essentially made of hexagonal rings (≥ 88%) and pentagonal and heptagonal rings in similar amounts (≈ 6%). The latter mostly form pentagon-heptagon pairs or networks of line defects between misoriented hexagonal domains. Numerous pairs of screw dislocations, connecting different graphene domains, are also observed while edge dislocations with unsaturated carbon atoms are almost absent. The models are validated with respect to experimental pair distribution functions, showing excellent agreement. | |
| dc.description.sponsorship | Matrices de Pyrocarbone à l'échelle nanométrique: Caractérisation – Modèles – Propriétés - ANR-10-BLAN-0929 | en_US |
| dc.language.iso | EN | en_US |
| dc.subject.en | Porous carbons | |
| dc.subject.en | Microstructure | |
| dc.subject.en | Simulation | |
| dc.subject.en | Nanostructure | |
| dc.subject.en | Diffraction | |
| dc.subject.en | Statistics | |
| dc.title.en | Structural features of pyrocarbon atomistic models constructed from transmission electron microscopy images | |
| dc.title.alternative | Carbon | en_US |
| dc.type | Article de revue | en_US |
| dc.identifier.doi | 10.1016/j.carbon.2012.05.015 | en_US |
| dc.subject.hal | Informatique [cs]/Traitement du signal et de l'image | en_US |
| dc.subject.hal | Sciences de l'ingénieur [physics]/Traitement du signal et de l'image | en_US |
| dc.subject.hal | Chimie/Matériaux | en_US |
| dc.subject.hal | Sciences de l'ingénieur [physics]/Matériaux | en_US |
| bordeaux.journal | Carbon | en_US |
| bordeaux.page | 4388-4400 | en_US |
| bordeaux.volume | 50 | en_US |
| bordeaux.hal.laboratories | Laboratoire des Composites Thermo Structuraux (LCTS) - UMR 5801 | en_US |
| bordeaux.issue | 12 | en_US |
| bordeaux.institution | Université de Bordeaux | en_US |
| bordeaux.institution | CNRS | en_US |
| bordeaux.institution | CEA | en_US |
| bordeaux.institution | Bordeaux INP | |
| bordeaux.peerReviewed | oui | en_US |
| bordeaux.inpress | non | en_US |
| bordeaux.identifier.funderID | Institut Carnot MICA | en_US |
| bordeaux.import.source | hal | |
| hal.identifier | hal-00773213 | |
| hal.version | 1 | |
| hal.popular | non | en_US |
| hal.audience | Internationale | en_US |
| hal.export | false | |
| workflow.import.source | hal | |
| dc.rights.cc | Pas de Licence CC | en_US |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Carbon&rft.date=2012-10-01&rft.volume=50&rft.issue=12&rft.spage=4388-4400&rft.epage=4388-4400&rft.eissn=0008-6223&rft.issn=0008-6223&rft.au=LEYSSALE,%20Jean-Marc&DA%20COSTA,%20Jean-Pierre&GERMAIN,%20Christian&WEISBECKER,%20Patrick&VIGNOLES,%20Gerard&rft.genre=article |
