Detail publikace

Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experiments

MORAVČÍK, I. ZELENÝ, M. DLOUHÝ, A. HADRABA, H. MORAVČÍKOVÁ DE ALMEIDA GOUVEA, L. PAPEŽ, P. FIKAR, O. DLOUHÝ, I. RAABE, D. LI, Z.

Originální název

Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experiments

Typ

článek v časopise ve Web of Science, Jimp

Jazyk

angličtina

Originální abstrakt

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.

Klíčová slova

ab initio calculations; interstitials; medium entropy alloy; scanning transmission electron microscopy; stacking fault energy; strengthening

Autoři

MORAVČÍK, I.; ZELENÝ, M.; DLOUHÝ, A.; HADRABA, H.; MORAVČÍKOVÁ DE ALMEIDA GOUVEA, L.; PAPEŽ, P.; FIKAR, O.; DLOUHÝ, I.; RAABE, D.; LI, Z.

Vydáno

30. 8. 2022

Nakladatel

Taylor & Francis

Místo

ABINGDON

ISSN

1468-6996

Periodikum

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Ročník

23

Číslo

1

Stát

Japonsko

Strany od

376

Strany do

392

Strany počet

17

URL

https://www.tandfonline.com/doi/full/10.1080/14686996.2022.2080512

Plný text v Digitální knihovně

http://hdl.handle.net/11012/208474

BibTex

@article{BUT179129,
  author="Igor {Moravčík} and Martin {Zelený} and Antonín {Dlouhý} and Hynek {Hadraba} and Larissa {Moravčíková de Almeida Gouvea} and Pavel {Papež} and Ondřej {Fikar} and Ivo {Dlouhý} and Dierk {Raabe} and Zhiming {Li}",
  title="Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experiments",
  journal="SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS",
  year="2022",
  volume="23",
  number="1",
  pages="376--392",
  doi="10.1080/14686996.2022.2080512",
  issn="1468-6996",
  url="https://www.tandfonline.com/doi/full/10.1080/14686996.2022.2080512"
}