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Elastic properties ...
Elastic properties of AlxCrMnFeCoNi (0 <= x <= 5) high-entropy alloys from ab initio theory
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- Zhang, Hualei (författare)
- Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Frontier Inst Sci & Technol, Ctr Microstruct Sci, Xian 710049, Shaanxi, Peoples R China
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- Sun, Xun (författare)
- KTH,Tillämpad materialfysik,Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Frontier Inst Sci & Technol, Ctr Microstruct Sci, Xian 710049, Shaanxi, Peoples R China;Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden
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- Lu, Song (författare)
- KTH,Tillämpad materialfysik,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden
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- Dong, Zhihua (författare)
- KTH,Materialvetenskap,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden
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- Ding, Xiangdong (författare)
- Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Frontier Inst Sci & Technol, Ctr Microstruct Sci, Xian 710049, Shaanxi, Peoples R China
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- Wang, Yunzhi (författare)
- Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Frontier Inst Sci & Technol, Ctr Microstruct Sci, Xian 710049, Shaanxi, Peoples R China;Ohio State Univ, Dept Mat Sci & Engn, 2041 Coll Rd, Columbus, OH 43210 USA
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- Vitos, Levente (författare)
- KTH,Uppsala universitet,Materialteori,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden;Wigner Res Ctr Phys, Res Inst Solid State Phys & Opt, POB 49, H-1525 Budapest, Hungary,Tillämpad materialfysik
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(creator_code:org_t)
- PERGAMON-ELSEVIER SCIENCE LTD, 2018
- 2018
- Engelska.
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Ingår i: Acta Materialia. - : PERGAMON-ELSEVIER SCIENCE LTD. - 1359-6454 .- 1873-2453. ; 155, s. 12-22
- 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
- Using ab initio calculations, we investigate the elastic properties of paramagnetic AlxCrMnFeCoNi (0 <= x <= 5) high -entropy alloys (HEAs) in both body-centered cubic (bcc) and face-centered cubic (fcc) structures. Comparison with available experimental data demonstrates that the employed approach describes accurately the elastic moduli. The predicted lattice constants increase monotonously with Al addition, whereas the elastic parameters exhibit complex composition dependences. The elastic anisotropy is unusually high for both phases. The brittle/ductile transitions formulated in terms of Cauchy pressure and Pugh ratio become consistent only when the strong elastic anisotropy is accounted for. The negative Cauchy pressure of CrMnFeCoNi is due to the relatively low bulk modulus and C-12 elastic constant, which in turn are consistent with the relatively low cohesive energy. The present findings in combination with the experimental data suggest anomalous metallic character for the HEAs system. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Ämnesord
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- High-entropy alloys
- Elastic anisotropy
- Brittle/ductile transition
- Pugh criterion
- First-principles calculation
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- art (ämneskategori)
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