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Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experiments
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SYSNO ASEP 0560777 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experiments Author(s) Moravčík, I. (CZ)
Zelený, M. (CZ)
Dlouhý, Antonín (UFM-A) RID, ORCID
Hadraba, Hynek (UFM-A) RID, ORCID
Moravcikova-Gouvea, L. (CZ)
Papež, P. (CZ)
Fikar, Ondřej (UFM-A) ORCID
Dlouhý, Ivo (UFM-A) RID, ORCID
Raabe, D. (DE)
Li, Z. (DE)Number of authors 10 Source Title Science and Technology of Advanced Materials. - : Taylor & Francis - ISSN 1468-6996
Roč. 23, č. 1 (2022), s. 376-392Number of pages 19 s. Language eng - English Country GB - United Kingdom Keywords ab initio calculations ; interstitials ; medium entropy alloy ; scanning transmission electron microscopy ; stacking fault energy ; strengthening Subject RIV JG - Metallurgy OECD category Materials engineering R&D Projects EF16_025/0007304 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) GA14-22834S GA ČR - Czech Science Foundation (CSF) Method of publishing Open access Institutional support UFM-A - RVO:68081723 UT WOS 000847648200001 EID SCOPUS 85137694607 DOI 10.1080/14686996.2022.2080512 Annotation We investigated the effects of interstitial N and C on the stacking fault energy (SFE) of an equiatomic CoCrNi medium entropy alloy. Results of computer modeling were compared to tensile deformation and electron microscopy data. Both N and C in solid solution increase the SFE of the face-centered cubic (FCC) alloy matrix at room temperature, with the former having a more significant effect by 240% for 0.5 at % N. Total energy calculations based on density functional theory (DFT) as well as thermodynamic modeling of the Gibbs free energy with the CALPHAD (CALculation of PHAse Diagrams) method reveal a stabilizing effect of N and C interstitials on the FCC lattice with respect to the hexagonal close-packed (HCP) CoCrNi-X (X: N, C) lattice. Scanning transmission electron microscopy (STEM) measurements of the width of dissociated 1/2 dislocations suggest that the SFE of CoCrNi increases from 22 to 42-44 mJ center dot m(-2) after doping the alloy with 0.5 at. % interstitial N. The higher SFE reduces the nucleation rates of twins, leading to an increase in the critical stress required to trigger deformation twinning, an effect which can be used to design load-dependent strain hardening response. Workplace Institute of Physics of Materials Contact Yvonna Šrámková, sramkova@ipm.cz, Tel.: 532 290 485 Year of Publishing 2023 Electronic address https://www.tandfonline.com/doi/full/10.1080/14686996.2022.2080512
Number of the records: 1