Temperature dependent stacking fault energy of FeCrCoNiMn high entropy alloy

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...

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Bibliographic Details
Published inScripta materialia Vol. 108; pp. 44 - 47
Main Authors Huang, Shuo, Li, Wei, Lu, Song, Tian, Fuyang, Shen, Jiang, Holmström, Erik, Vitos, Levente
Format Journal Article
LanguageEnglish
Published Elsevier Ltd 01.11.2015
Subjects
Entropy
Estimates
First-principles calculation
Hexagonal phase
High-entropy alloy
Mathematical analysis
Modulus of elasticity
Stacking fault energy
Strain
Twinning
Stacking fault energy
Twinning
First-principles calculation
High-entropy alloy
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Summary: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.
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content type line 23
ISSN:1359-6462
1872-8456
1872-8456
DOI:10.1016/j.scriptamat.2015.05.041