Quasilocalized modes in crystalline and partially crystalline high-entropy alloys

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

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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.

Original languageEnglish
Article number013146
Pages (from-to)1-8
Number of pages8
Issue number1
Publication statusPublished - Jan 2024
MoE publication typeA1 Journal article-refereed


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