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Short-range order i...
Short-range order in face-centered cubic VCoNi alloys
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- Kostiuchenko, Tatiana (författare)
- Skolkovo Innovat Ctr, Skolkovo Inst Sci & Technol, Nobel St 3, Moscow 143026, Russia.
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- Ruban, Andrei V. (författare)
- KTH,Materialvetenskap,Mat Ctr Leoben, A-8700 Leoben, Austria.
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- Neugebauer, Joerg (författare)
- Max Planck Inst Eisenforsch GmbH, Computat Mat Design, D-40237 Dusseldorf, Germany.
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- Shapeev, Alexander (författare)
- Skolkovo Innovat Ctr, Skolkovo Inst Sci & Technol, Nobel St 3, Moscow 143026, Russia.
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- Kormann, Fritz (författare)
- Max Planck Inst Eisenforsch GmbH, Computat Mat Design, D-40237 Dusseldorf, Germany.;Delft Univ Technol, Mat Sci & Engn, NL-2628 CD Delft, Netherlands.
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Skolkovo Innovat Ctr, Skolkovo Inst Sci & Technol, Nobel St 3, Moscow 143026, Russia Materialvetenskap (creator_code:org_t)
- American Physical Society, 2020
- 2020
- Engelska.
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Ingår i: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 4:11
- Relaterad länk:
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https://doi.org/10.1...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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