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Generalized stackin...
Generalized stacking faults energies of face-centered cubic high-entropy alloys : A first-principles study
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- Li, Xiaojie (författare)
- KTH,Egenskaper,Taizhou Univ, Dept Phys, Taizhou 318000, Zhejiang, Peoples R China.;KTH Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden.
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- Schönecker, Stephan (författare)
- KTH,Egenskaper,KTH Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden.
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- Vitos, Levente (författare)
- Uppsala universitet,KTH,Egenskaper,Wigner Res Ctr Phys, Res Inst Solid State Phys & Opt, POB 49, H-1525 Budapest, Hungary.;Uppsala Univ, Dept Phys & Astron, Div Mat Theory, Box 516, SE-75120 Uppsala, Sweden.,Materialteori,KTH Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden.;Wigner Res Ctr Phys, Res Inst Solid State Phys & Opt, POB 49, H-1525 Budapest, Hungary.
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- Li, Xiaoqing (författare)
- KTH,Egenskaper,KTH Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden.
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(creator_code:org_t)
- Elsevier BV, 2022
- 2022
- Engelska.
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Ingår i: Intermetallics (Barking). - : Elsevier BV. - 0966-9795 .- 1879-0216. ; 145, s. 107556-
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- Developing high-strength and ductile face-centered cubic (fcc) high-entropy alloys (HEAs) has attracted significant attention. The generalized stacking fault energy (GSFE) is a very useful concept to describe stable and unstable planar defects and their energies on a slip plane. It plays an essential role in designing high performance fcc HEAs and understanding the nanoscale plasticity phenomena. In this work, using first-principles simulations, we investigate the configuration-averaged GSFEs of 29 single-phase fcc HEAs and identify indicators that can be used to tune stacking fault energies. First we determine the equilibrium structural parameters for all considered alloys and compare them with available experimental data. With the obtained GSFEs, we analyze the relationship between the stacking fault energies and materials properties, and investigate scaling relations between planar fault energies and the tendencies to exhibit deformation twinning and transformation to hexagonal close-packed martensite. We find that unstable SFE and shear modulus correlates strongly. Moreover, we reveal that the ratio of intrinsic SFE to unstable SFE, gamma isf/gamma usf, is a characteristic materials measure, and the tendencies to twinning and martensitic transformation rank with it. Our results are expected to be useful for an efficient alloy design and selection of solutes in fcc HEAs.
Ämnesord
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
Nyckelord
- Generalized stacking faults energies
- Face -centered cubic
- High-entropy alloys
- Twinnability
- Martensitic transformation
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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