Journal
INTERMETALLICS
Volume 83, Issue -, Pages 9-16Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.intermet.2016.12.007
Keywords
Hume-Rothery rule; Ab initio; High-entropy alloys; Coherent potential approximation; Elastic moduli; Ideal strength
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Funding
- National Natural Science Foundation of China (NSFC) [51401014]
- fundamental research funds for the Central Universities [FRF-TP-14-029A1]
- Swedish Research Council
- Swedish Foundation for Strategic Research
- Carl Tryggers Foundations
- Swedish Foundation for International Cooperation in Research and Higher Education
- Sweden's Innovation Agency
- Hungarian Scientific Research Fund [OTKA 109570]
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We use the Hume-Rothery rules and ab initio mixing enthalpies to design novel high entropy alloys composed of late 3d metal (Mn, Fe, Co, Ni, Cu) and CrMoW. Results predict that CrMoW, CrMoWMn, CrMoWCo and CrMoWNi adopt single body-centered cubic (bcc) crystal structure. The ab initio calculations of elastic moduli and ideal strengths indicate that the bcc phase is more stable thermodynamically than the face-centered cubic (fcc) crystal structure for CrMoW, CrMoWMn, CrMoWNi HEAs, but the late 3d elements decreases the mechanical stability of the bcc phase. In particular Ni addition increases the intrinsic ductility and decreases the intrinsic strength of CrMoW alloy. (C) 2016 Elsevier Ltd. All rights reserved.
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