Short-range order in face-centered cubic VCoNi alloys

Kostiuchenko, Tatiana (author): Skolkovo Innovat Ctr, Skolkovo Inst Sci & Technol, Nobel St 3, Moscow 143026, Russia.

Ruban, Andrei V. (author): KTH,Materialvetenskap,Mat Ctr Leoben, A-8700 Leoben, Austria.

Neugebauer, Joerg (author): Max Planck Inst Eisenforsch GmbH, Computat Mat Design, D-40237 Dusseldorf, Germany.

Shapeev, Alexander (author): Skolkovo Innovat Ctr, Skolkovo Inst Sci & Technol, Nobel St 3, Moscow 143026, Russia.

Kormann, Fritz (author): Max Planck Inst Eisenforsch GmbH, Computat Mat Design, D-40237 Dusseldorf, Germany.;Delft Univ Technol, Mat Sci & Engn, NL-2628 CD Delft, Netherlands.

Skolkovo Innovat Ctr, Skolkovo Inst Sci & Technol, Nobel St 3, Moscow 143026, Russia Materialvetenskap (creator_code:org_t)

American Physical Society, 2020
2020
English.
In: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 4:11

Related links:: https://doi.org/10.1...; show more...; https://urn.kb.se/re...; https://doi.org/10.1...; show less...

Abstract Subject headings

Concentrated solid solutions including the class of high entropy alloys (HEAs) have attracted enormous attention recently. Among these alloys a recently developed face-centered cubic (fcc) equiatomic VCoNi alloy revealed extraordinary high yield strength, exceeding previous high-strength fcc CrCoNi and FeCoNiCrMn alloys. Significant lattice distortions had been reported in the VCoNi solid solution. There is, however, a lack of knowledge about potential short-range order (SRO) and its implications for most of these alloys. We performed first-principles calculations and Monte Carlo simulations to compute the degree of SRO for fcc VCoNi, namely, by utilizing the coherent-potential approximation in combination with the generalized perturbation method as well as the supercell method in combination with recently developed machine-learned potentials. We analyze the chemical SRO parameters as well as the impact on other properties such as relaxation energies and lattice distortions.

By the author/editor: Kostiuchenko, Ta ...; Ruban, Andrei V.; Neugebauer, Joer ...; Shapeev, Alexand ...; Kormann, Fritz

About the subject

ENGINEERING AND TECHNOLOGY: ENGINEERING AND ...; and Materials Engine ...; and Metallurgy and M ...

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