B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys

Fritz Körmann*, Tatiana Kostiuchenko, Alexander Shapeev, Jörg Neugebauer

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

16 Citations (Scopus)
31 Downloads (Pure)

Abstract

The phase stability of a bcc AlNbTiV high-entropy alloy at elevated temperatures is studied using a combination of machine-learning interatomic potentials, first-principles calculations, and Monte Carlo simulations. The simulations reveal a B2 ordering below about 1700 K, mainly caused by a strong site preference of Al and Ti. A much weaker site preference for V and Nb is observed, strongly affecting the alloys total configurational entropy. The underlying mechanisms of the B2 phase stability as opposed to the random solid solution are discussed in terms of a high persisting configurational entropy of the B2 phase due to strong sublattice site disorder.

Original languageEnglish
Article number053803
Number of pages6
JournalPhysical Review Materials
Volume5
Issue number5
DOIs
Publication statusPublished - 2021

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