Detail publikace

Microstructure evolution of iron precipitates in (Fe, He)-irradiated 6H-SiC: A combined TEM and multiscale modeling

Daghbouj, N. AlMotasem, AT. Vesely, J. Li, B. Sen, HS. Karlik, M. Lorincik, J. Ge, F. Zhang, L. Krsjak, V. Laguta, O. Callisti, M. Polcar, T.

Originální název

Microstructure evolution of iron precipitates in (Fe, He)-irradiated 6H-SiC: A combined TEM and multiscale modeling

Typ

článek v časopise ve Web of Science, Jimp

Jazyk

angličtina

Originální abstrakt

Microstructure of radiation-induced Iron phases were investigated in a 6H-SiC subjected to Iron and Helium bombardment with a damage level of 8 dpa. The microstructural evolution before and after annealing was investigated by combining transmission electron microscopy (TEM, STEM-EDS), automated crystal phase and orientation imaging (ACOM-TEM), secondary ion mass spectroscopy (SIMS), and atomic scale simulations. The irradiation amorphized the entire damaged layer which contains an embedded band of He bubbles located at peak damage concentration. After annealing, the amorphous layer recrystallized into a polycrystalline 6H-SiC where the Fe profile significantly changed to form Fe-rich clusters. ACOM-TEM reveals the formation of large cubic FeSi clusters and small bcc-Fe precipitates located at the 6H-SiC grain boundaries. The type and size distribution of the precipitates greatly depend on the Fe profile. Fe-Si compounds form around the Fe peak concentration, while, bcc Fe precipitates tend to be more homogeneously distributed. Density functional theory (DFT) calculations demonstrate that the formation of Fe dimers and trimers in the 1st nearest neighbor is energetically favorable. A combined Monte Carlo/Classical molecular dynamic (MMC/MD) technique reveals that the Fe atoms prefer to form large clusters in accordance with experimental results. MD annealing simulations reveal the formation of stable bcc Fe at high temperatures. The phase transition starts at the cluster-matrix interface around 620 K and the cluster is fully transformed at 700 K.

Klíčová slova

6H-SiC; Irradiation; ACOM-TEM; Precipitates; DFT; MMC; MD

Autoři

Daghbouj, N.; AlMotasem, AT.; Vesely, J.; Li, B.; Sen, HS.; Karlik, M.; Lorincik, J.; Ge, F.; Zhang, L.; Krsjak, V.; Laguta, O.; Callisti, M.; Polcar, T.

Vydáno

1. 10. 2023

Nakladatel

ELSEVIER

Místo

AMSTERDAM

ISSN

1873-4820

Periodikum

JOURNAL OF NUCLEAR MATERIALS

Ročník

584

Číslo

154543

Stát

Nizozemsko

Strany počet

12

URL

https://www.sciencedirect.com/science/article/pii/S0022311523003100?via%3Dihub

BibTex

@article{BUT184928,
  author="Daghbouj, N. and AlMotasem, AT. and Vesely, J. and Li, B. and Sen, HS. and Karlik, M. and Lorincik, J. and Ge, F. and Zhang, L. and Krsjak, V. and Laguta, O. and Callisti, M. and Polcar, T.",
  title="Microstructure evolution of iron precipitates in (Fe, He)-irradiated 6H-SiC: A combined TEM and multiscale modeling",
  journal="JOURNAL OF NUCLEAR MATERIALS",
  year="2023",
  volume="584",
  number="154543",
  pages="12",
  doi="10.1016/j.jnucmat.2023.154543",
  issn="1873-4820",
  url="https://www.sciencedirect.com/science/article/pii/S0022311523003100?via%3Dihub"
}