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Microstructure evolution of iron precipitates in (Fe, He)-irradiated 6H-SiC: A combined TEM and multiscale modeling
Daghbouj, N.1; AlMotasem, A. T.1,11; Vesely, J.2; Li, B. S.3; Sen, H. S.1; Karlik, M.4; Lorincik, J.5; Ge, F. F.6; Zhang, L.7; Krsjak, V.8; Laguta, O.9; Callisti, M.10; Polcar, T.1
2023-10
Online publication date2023-06
Source PublicationJOURNAL OF NUCLEAR MATERIALS   Impact Factor & Quartile
ISSN0022-3115 ; 1873-4820
Volume584
page numbers12
AbstractMicrostructure 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.
Keyword6H-SiC Irradiation ACOM-TEM Precipitates DFT MMC MD
PublisherELSEVIER
DOI10.1016/j.jnucmat.2023.154543
Indexed BySCIE
Language英语
WOS Research AreaMaterials Science ; Nuclear Science & Technology
WOS SubjectMaterials Science, Multidisciplinary ; Nuclear Science & Technology
WOS IDWOS:001023555700001
Original Document TypeArticle
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttps://ir.lzu.edu.cn/handle/262010/568510
Collection兰州大学
Corresponding AuthorDaghbouj, N.; AlMotasem, A. T.
Affiliation
1.Czech Tech Univ, Fac Elect Engn, Dept Control Engn, Techn 2, Prague 6, Czech Republic;
2.Charles Univ Prague, Fac Math & Phys, Dept Phys Mat, Ke Karlovu 5, Prague 2, Czech Republic;
3.Southwest Univ & Technol, State Key Lab Environm friendly Energy Mat, Mianyang 621010, Sichuan, Peoples R China;
4.Czech Tech Univ, Fac Nucl Sci & Phys Engn, Dept Mat, Trojanova 13, Prague 2, Czech Republic;
5.Res Ctr Rez, Husinec Rez 25068, Czech Republic;
6.Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo 315201, Peoples R China;
7.Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou, Gansu, Peoples R China;
8.Slovak Univ Technol Bratislava, Inst Nucl & Phys Engn, Fac Elect Engn & Informat Technol, Ilkovicova 3, Bratislava 81219, Slovakia;
9.Brno Univ Technol, CEITEC Cent European Inst Technol, Purkynova 123, Brno 61200, Czech Republic;
10.Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, Cambridge CB3 0FS, England;
11.Assiut Univ, Fac Sci, Phys Dept, POB 71516, Assiut, Egypt
Recommended Citation
GB/T 7714
Daghbouj, N.,AlMotasem, A. T.,Vesely, J.,et al. Microstructure evolution of iron precipitates in (Fe, He)-irradiated 6H-SiC: A combined TEM and multiscale modeling[J]. JOURNAL OF NUCLEAR MATERIALS,2023,584.
APA Daghbouj, N..,AlMotasem, A. T..,Vesely, J..,Li, B. S..,Sen, H. S..,...&Polcar, T..(2023).Microstructure evolution of iron precipitates in (Fe, He)-irradiated 6H-SiC: A combined TEM and multiscale modeling.JOURNAL OF NUCLEAR MATERIALS,584.
MLA Daghbouj, N.,et al."Microstructure evolution of iron precipitates in (Fe, He)-irradiated 6H-SiC: A combined TEM and multiscale modeling".JOURNAL OF NUCLEAR MATERIALS 584(2023).
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