Published February 6, 2024 | Version v1
Journal article Open

Quasilocalized modes in crystalline and partially crystalline high-entropy alloys

  • 1. NOMATEN Centre of Excellence, National Center for Nuclear Research, ul. A. Soltana 7, 05-400 Swierk/Otwock, Poland
  • 2. Center for Complexity and Biosystems, Department of Physics, University of Milan, via Celoria 16, 20133 Milano, Italy
  • 3. CNR - Consiglio Nazionale delle Ricerche, Istituto di Chimica della Materia Condensata e di Tecnologie per l'Energia, Via R. Cozzi 53, 20125 Milano, Italy
  • 4. Aalto University, Department of Applied Physics, PO Box 11000, 00076 Aalto, Espoo, Finland

Description

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.

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10.1103_PhysRevResearch.6.013146.pdf

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Additional details

Identifiers

DOI
10.1103/PhysRevResearch.6.013146;
arXiv
arXiv:2303.09161;
Crossref Funder ID
10.13039/100010661; 10.13039/501100008530; 10.13039/501100001870;

Publishing Information

Journal Title
Physical Review Research
Journal Volume
6
Journal Issue
1
Journal Page Range
8 pgs.
ISSN
2643-1564

Optional Information

Contract/Grant/Project number
857470; MAB PLUS/2018/8
Notes
Record automatically processed
Funding organization
Horizon 2020 Framework Programme; European Regional Development Fund; Fundacja na rzecz Nauki Polskiej