In the high-entropy alloy (HEA) community, many researchers have been trying to improve the strength of the CoCrFeMnNi HEA by generating a transformation-induced-plasticity (TRIP) effect and/or maximizing the solid solution hardening effect. Adding vanadium (V) to the CoCrFeMnNi HEAs could be an effective way to improve strength, because vanadium stabilizes the body-centered cubic (bcc) phase and its atomic size is larger than Co, Cr, Fe, Mn, and Ni. To design high strength V-added HEAs, we investigated the effect of vanadium on the critical resolved shear stress (CRSS) by utilizing an atomistic simulation, proposing an empirical equation to estimate the relative effect of alloying elements on the CRSS. For this, we first developed the Co-Cr-Fe-Mn-Ni-V hexanary interatomic potential by newly developing the Cr-V, Fe-V, and Mn-V binary interatomic potentials. As a result, two novel V-added HEAs were designed and the designed HEAs show higher strength than the previously developed non-equiatomic CoCrFeMnNi HEAs, as predicted from the empirical equation.
|Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
|Published - 2021 Sept
Bibliographical noteFunding Information:
This research was supported by the Future Material Discovery Program of the National Research Foundation of Korea (NRF) funded by the Ministry of Science and ICT of Korea ( 2016M3D1A1023383 ).
© 2021 Elsevier Ltd
- 2NN MEAM interatomic Potential
- Computational alloy design
- High-entropy alloy
ASJC Scopus subject areas
- General Chemistry
- General Chemical Engineering
- Computer Science Applications