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Chemical randomness, lattice distortion and the wide distributions in the atomic level properties in high entropy alloys.

Authors :
Aidhy, Dilpuneet S.
Source :
Computational Materials Science. Mar2024, Vol. 237, pN.PAG-N.PAG. 1p.
Publication Year :
2024

Abstract

[Display omitted] High entropy alloys (HEAs) consist of multiple elements present in large proportions that are randomly distributed on a crystal lattice. On the one hand, the presence of multiple elements engenders wide ranges of atomic radii, electronegativities, electron valences and magnetic moments, whereas on the other, the presence of chemical randomness creates unique nearest neighbor environments among the lattice sites. As a result, the symmetry of the energy landscape is broken essentially at each lattice site thereby resulting in highly distorted energy landscapes. At the atomistic level, the lattice distortion has been widely observed in the form of varying bond lengths. At the electronic level, a range of charge transfers result in the charge density distortion. Collectively, the distorted landscapes cause large quantitative variations of the atomic level properties; in this review, we highlight the effect of lattice distortion on point defect energetics, stacking fault energies, and dislocation mobility. Besides the well-known large HEAs phase space, the enormity of the distorted energy landscape that scales with the atomic configurations is a new consideration; understanding this coupling between composition, lattice distortion and properties' variations thus becomes an exciting but challenging area within the field of HEAs. This coupling is expected to open a new door for materials design, where the materials properties could be tuned via leveraging the lattice distortion, which is essentially absent in dilute/ordered alloys. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
09270256
Volume :
237
Database :
Academic Search Index
Journal :
Computational Materials Science
Publication Type :
Academic Journal
Accession number :
175963540
Full Text :
https://doi.org/10.1016/j.commatsci.2024.112912