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A molecular dynamics investigation of laminar pyrocarbons elasticity up to high-temperatures

dc.rights.licenseopenen_US
hal.structure.identifierLaboratoire Matière sous Conditions Extrêmes [LMCE]
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
hal.structure.identifierCEA/DAM [Arpajon] [CEA/DAM]
dc.contributor.authorPOLEWCZYK, Franck
hal.structure.identifierCEA/DAM [Arpajon] [CEA/DAM]
hal.structure.identifierLaboratoire Matière sous Conditions Extrêmes [LMCE]
dc.contributor.authorLAFOURCADE, Paul
hal.structure.identifierCEA/DAM [Arpajon] [CEA/DAM]
hal.structure.identifierLaboratoire Matière sous Conditions Extrêmes [LMCE]
dc.contributor.authorPINEAU, Nicolas
hal.structure.identifierCEA/DAM [Arpajon] [CEA/DAM]
hal.structure.identifierLaboratoire Matière sous Conditions Extrêmes [LMCE]
dc.contributor.authorDENOUAL, Christophe
hal.structure.identifierLaboratoire des Composites Thermostructuraux [LCTS]
dc.contributor.authorVIGNOLES, Gerard
IDREF: 070191875
hal.structure.identifierLaboratoire des Composites Thermostructuraux [LCTS]
dc.contributor.authorLEYSSALE, Jean-Marc
dc.date.accessioned2025-04-07T12:45:02Z
dc.date.available2025-04-07T12:45:02Z
dc.date.issued2024-09-01
dc.identifier.issn2667-0569en_US
dc.identifier.urihttps://oskar-bordeaux.fr/handle/20.500.12278/206023
dc.description.abstractEnThe mechanical properties of anisotropic carbons such as the pyrocarbon (pyC) matrices in C/C composites remain poorly documented, especially at elevated temperatures where these materials find most of their applications. We provide here a comprehensive molecular dynamics investigation of the high temperature – up to 4000 K – elastic behavior of six nanoscale pyC models in the context of fast temperature increases, not allowing for major structural modifications such as graphitization. We show that the structure of the most anisotropic and less disordered carbons, like the rough laminar (RL) pyC, is mostly not affected by annealing at the nanosecond timescale, aside from healing unstable defects like two-coordinated atoms at graphene edges. Conversely, highly disordered and less anisotropic carbons like the smooth laminar (SL) pyC show some significant rearrangements at grain boundaries and the development of some limited microporosity. The elastic constants of all highly anisotropic models moderately decrease with increasing temperature, somehow similarly to what is observed for graphite. Elastic constants of the SL pyC show a stronger decrease at high temperature, due to the decrease in density even though all models retain an important degree of stiffness up to 4000 K.
dc.language.isoENen_US
dc.title.enA molecular dynamics investigation of laminar pyrocarbons elasticity up to high-temperatures
dc.typeArticle de revueen_US
dc.identifier.doi10.1016/j.cartre.2024.100376en_US
dc.subject.halChimieen_US
bordeaux.journalCarbon Trendsen_US
bordeaux.page100376en_US
bordeaux.volume16en_US
bordeaux.hal.laboratoriesLaboratoire des Composites Thermo Structuraux (LCTS) - UMR 5801en_US
bordeaux.institutionUniversité de Bordeauxen_US
bordeaux.institutionCNRSen_US
bordeaux.institutionCEAen_US
bordeaux.peerReviewedouien_US
bordeaux.inpressnonen_US
bordeaux.import.sourcehal
hal.identifierhal-04758646
hal.version1
hal.popularnonen_US
hal.audienceInternationaleen_US
hal.exportfalse
workflow.import.sourcehal
dc.rights.ccPas de Licence CCen_US
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Carbon%20Trends&rft.date=2024-09-01&rft.volume=16&rft.spage=100376&rft.epage=100376&rft.eissn=2667-0569&rft.issn=2667-0569&rft.au=POLEWCZYK,%20Franck&LAFOURCADE,%20Paul&PINEAU,%20Nicolas&DENOUAL,%20Christophe&VIGNOLES,%20Gerard&rft.genre=article


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