Exploring radiation damage in (Hf0.2Zr0.2Ta0.2Ti0.2Nb0.2)C high-entropy carbide ceramic: Integrating experimental and atomistic investigations

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Exploring radiation damage in (Hf0.2Zr0.2Ta0.2Ti0.2Nb0.2)C high-entropy carbide ceramic: Integrating experimental and atomistic investigations

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Exploring radiation damage in (Hf0.2Zr0.2Ta0.2Ti0.2Nb0.2)C high-entropy carbide ceramic: Integrating experimental and atomistic investigations

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20501 - Materials engineering

Projekt

<a href="/cs/project/EH22_008%2F0004590" target="_blank" >EH22_008/0004590: Robotika a pokročilá průmyslová výroba</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2024

Kód důvěrnosti údajů

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

Název periodika

International Journal of Refractory Metals and Hard Materials

ISSN

0263-4368

e-ISSN

2213-3917

Svazek periodika

123

Číslo periodika v rámci svazku

September

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

15

Strana od-do

—

Kód UT WoS článku

001262879500001

EID výsledku v databázi Scopus

2-s2.0-85196772572