Quasi-localized modes in crystalline high entropy alloys
S Bonfanti, R Guerra, R Alvarez-Donado… - arXiv preprint arXiv …, 2023 - arxiv.org
arXiv preprint arXiv:2303.09161, 2023•arxiv.org
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. Our results show that the expected dependence of the density of states
on the frequency as $ D (\omega)\sim\omega^ 4$ is recovered for amorphous HEAs and is …
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. Our results show that the expected dependence of the density of states
on the frequency as $ D (\omega)\sim\omega^ 4$ is recovered for amorphous HEAs and is …
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. Our results show that the expected dependence of the density of states on the frequency as 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 quasi-localized 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.
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