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Multi-scale simulation of the experimental response of ion-irradiated zirconium carbide: Role of interstitial clustering

Multi-scale simulation of the experimental response of ion-irradiated zirconium carbide: Role of interstitial clustering

Authors :
Aurélien Debelle
Lionel Thomé
S. Pellegrino
Patrick Trocellier
Thomas Jourdan
Jean-Paul Crocombette
Service de recherches de métallurgie physique (SRMP)
Département des Matériaux pour le Nucléaire (DMN)
CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN))
Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN))
Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay
CSNSM PCI
Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM)
Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11)
Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)
Source :
Acta Materialia, Acta Materialia, Elsevier, 2015, 102, pp.Pages 79-87. ⟨10.1016/j.actamat.2015.09.004⟩, Acta Materialia, 2015, 102, pp.Pages 79-87. ⟨10.1016/j.actamat.2015.09.004⟩
Publication Year :
2016
Publisher :
Elsevier BV, 2016.

Abstract

International audience; The response of zirconium carbide to heavy-ion irradiation at room temperature has been studied by X-ray diffraction, ion channeling and transmission electron microscopy. Below 5 × 1014 cm−2, we observe a build-up of elastic strain with increasing fluences. At this threshold fluence the strain is released and important dechanneling appears as well as visible TEM damage. With increasing fluence, this damage is found to spread in the material deeper than the depth of direct damaging by the ion beam. These experimental observations are reproduced and explained by Density Functional Theory informed Rate Equation Cluster Dynamics simulations. Simulations show that the response of ZrC upon ion-irradiation is driven by the diffusion and clustering of interstitials. The two-step evolution seen in experiments stems from the growth of interstitial clusters with a concomitant starvation of the smallest clusters induced by the continuous accumulation of vacancies. The damaging of the material beyond the range of primary damage is driven by diffusion of interstitials.

Details

ISSN :
13596454
Volume :
102
Database :
OpenAIRE
Journal :
Acta Materialia
Accession number :
edsair.doi.dedup.....5311b4073a151765afa6ad219e27976a
Full Text :
https://doi.org/10.1016/j.actamat.2015.09.004