Exploring radiation damage in (Hf0.2Zr0.2Ta0.2Ti0.2Nb0.2)C high-entropy carbide ceramic: Integrating experimental and atomistic investigations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F24%3A00375770" target="_blank" >RIV/68407700:21230/24:00375770 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.ijrmhm.2024.106755" target="_blank" >https://doi.org/10.1016/j.ijrmhm.2024.106755</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ijrmhm.2024.106755" target="_blank" >10.1016/j.ijrmhm.2024.106755</a>
Alternative languages
Result language
angličtina
Original language name
Exploring radiation damage in (Hf0.2Zr0.2Ta0.2Ti0.2Nb0.2)C high-entropy carbide ceramic: Integrating experimental and atomistic investigations
Original language description
This study investigates the intricate mechanisms that govern irradiation damage in high-entropy ceramic materials. Specifically, we synthesized (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high-entropy carbide ceramics (HECC) with a single-phase rock-salt structure using spark plasma sintering. These ceramics were then subjected to irradiation with 1.08 MeV C ions, resulting in a dose of 7.2 dpa (dpa: displacements per atom) at both room temperature (RT) and 500 °C. To understand the resulting damage structure, we analyzed bulk irradiated HECC samples using Grazing Incidence X-ray Diffraction (GIXRD) and Transmission Electron Microscope (TEM) at both irradiation temperatures. GIXRD analysis revealed an average tensile strain out-of-plane of 0.16% for RT irradiation and 0.14% for irradiation at 500 °C. In addition, TEM analysis identified a buried damaged band, approximately 970 nm thick, under both irradiation temperatures. By employing the bright field TEM imaging technique under kinematic two-beam conditions, dislocation loops of both a/3 <111>{111} and a/2 <110>{110} types within the damaged band were observed. Furthermore, our analysis indicated an increase in the average size of the total dislocation loops within the band from 1.2 nm to 1.4 nm as the density decreased. Importantly, no amorphization, precipitates, or voids were detected in the damaged band under both irradiation temperatures. Density functional theory (DFT) simulations indicated that carbon predominantly resides in <110>split interstitial sites causing lattice expansion, while vacancies, particularly Nb, induced compression along the c-axis. Carbon atoms tend to bond when collectively present in the <110> split interstitial sites, contributing to the formation of interstitial loops.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
20501 - Materials engineering
Result continuities
Project
<a href="/en/project/EH22_008%2F0004590" target="_blank" >EH22_008/0004590: Robotics and advanced industrial production</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
International Journal of Refractory Metals and Hard Materials
ISSN
0263-4368
e-ISSN
2213-3917
Volume of the periodical
123
Issue of the periodical within the volume
September
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
15
Pages from-to
—
UT code for WoS article
001262879500001
EID of the result in the Scopus database
2-s2.0-85196772572