Journal
SCRIPTA MATERIALIA
Volume 108, Issue -, Pages 44-47Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2015.05.041
Keywords
High-entropy alloy; Stacking fault energy; Twinning; First-principles calculation
Categories
Funding
- Swedish Research Council
- Swedish Foundation for Strategic Research
- Sweden's Innovation Agency (VINNOVA) [2014-03374]
- China Scholarship Council
- National 973 Project of China [2011CB606401]
- National Natural Science Foundation of China [51401014]
- Hungarian Scientific Research Fund [OTKA 84078, 109570]
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The stacking fault energy (SFE) of paramagnetic FeCrCoNiMn high entropy alloy is investigated as a function of temperature via ab initio calculations. We divide the SFE into three major contributions: chemical, magnetic and strain parts. Structural energies, local magnetic moments and elastic moduli are used to estimate the effect of temperature on each term. The present results explain the recently reported twinning observed below room-temperature and predict the occurrence of the hexagonal phase at cryogenic conditions. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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