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Quasilocalized modes in crystalline and partially crystalline high-entropy alloys

Authors: Bonfanti, Silvia; Guerra, Roberto; Alvarez-Donado, Rene; Sobkowicz, Paweł; Zapperi, Stefano; Alava, Mikko;

Quasilocalized modes in crystalline and partially crystalline high-entropy alloys

Abstract

High entropy alloys (HEAs) are designed by mixing multiple metallic species in nearly the same amount to obtain crystalline or amorphous materials with exceptional mechanical properties. Here we use molecular dynamics simulations to investigate the role of positional and compositional disorder in determining the low-frequency vibrational properties of CrMnFeCoNi HEAs with a varying degree of amorphous order. Our results show that the expected dependence of the density of states on the frequency as D(ω)∼ω4 is recovered for amorphous HEAs and is also observed for partially crystallized alloys with deviations that depend on the degree of crystallization. We find that the quasilocalized vibrations are still visible in crystalline HEAs, albeit suppressed compared to the corresponding amorphous alloys. Our work offers a unified perspective to describe HEA mechanical properties in terms of their vibrational density of states. Published by the American Physical Society 2024

Countries
Finland, Italy
Keywords

Physics, QC1-999

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average
Green
gold