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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F26722445%3A_____%2F23%3AN0000032" target="_blank" >RIV/26722445:_____/23:N0000032 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68407700:21230/23:00368703 RIV/68407700:21340/23:00368703 RIV/00216208:11320/23:10475834 RIV/00216305:26620/23:PU149208

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0022311523003100" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0022311523003100</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jnucmat.2023.154543" target="_blank" >10.1016/j.jnucmat.2023.154543</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Nuclear Materials

ISSN

0022-3115

e-ISSN

1873-4820

Svazek periodika

584

Číslo periodika v rámci svazku

October

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

12

Strana od-do

1-12

Kód UT WoS článku

001023555700001

EID výsledku v databázi Scopus

2-s2.0-85161678540