POLEWCZYK, Franck; LAFOURCADE, Paul; PINEAU, Nicolas; DENOUAL, Christophe; VIGNOLES, Gerard; LEYSSALE, Jean-Marc

doi:10.1016/j.cartre.2024.100376

Voir/Ouvrir

PUBLISHED_A_molecular_dynamics_investigation_of_laminar_pyrocarbons_elasticity_up_to_high_temperatures.pdf (4.052Mo)

Métadonnées

Afficher la notice complète

Licence d’utilisation du document

POLEWCZYK, Franck
Laboratoire Matière sous Conditions Extrêmes [LMCE]
Institut des Sciences Moléculaires [ISM]
CEA/DAM [Arpajon] [CEA/DAM]

LAFOURCADE, Paul
CEA/DAM [Arpajon] [CEA/DAM]
Laboratoire Matière sous Conditions Extrêmes [LMCE]

PINEAU, Nicolas
CEA/DAM [Arpajon] [CEA/DAM]
Laboratoire Matière sous Conditions Extrêmes [LMCE]

Langue

Article de revue

Ce document a été publié dans

Carbon Trends. 2024-09-01, vol. 16, p. 100376

Résumé en anglais

The 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.< Réduire

Voir/Ouvrir

Métadonnées

Partager cette publication !

Licence d’utilisation du document

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

Langue

Ce document a été publié dans

Résumé en anglais

URI

DOI

Unités de recherche