Quasilocalized modes in crystalline and partially crystalline high-entropy alloys
Creators
- 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 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.
Files
10.1103_PhysRevResearch.6.013146.pdf
Files
(2.7 MB)
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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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- AMORPHOUS STATE; BINARY ALLOY SYSTEMS; CRYSTALLIZATION; DENSITY; DENSITY OF STATES; ENERGY-LEVEL DENSITY; ENTROPY; FREQUENCY DEPENDENCE; MECHANICAL PROPERTIES; MIXING; MOLECULAR DYNAMICS METHOD; ORDER-DISORDER TRANSFORMATIONS; OSCILLATION MODES; SIMULATION; TERNARY ALLOY SYSTEMS; VIBRATIONAL STATES
- Descriptors DEC
- ALLOY SYSTEMS; CALCULATION METHODS; ENERGY LEVELS; EXCITED STATES; PHASE TRANSFORMATIONS; PHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES
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