• Open Access

Quasilocalized modes in crystalline and partially crystalline high-entropy alloys

Silvia Bonfanti, Roberto Guerra, Rene Alvarez-Donado, Paweł Sobkowicz, Stefano Zapperi, and Mikko Alava
Phys. Rev. Research 6, 013146 – Published 6 February 2024

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.

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  • Received 15 March 2023
  • Accepted 5 January 2024

DOI:https://doi.org/10.1103/PhysRevResearch.6.013146

Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

Published by the American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Silvia Bonfanti1, Roberto Guerra2, Rene Alvarez-Donado1, Paweł Sobkowicz1, Stefano Zapperi2,3, and Mikko Alava1,4

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

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Vol. 6, Iss. 1 — February - April 2024

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