Document Type
Article
Publication Version
Published Version
Publication Date
6-1-2015
Journal or Book Title
Physical Review B
Volume
91
Issue
22
First Page
224204
DOI
10.1103/PhysRevB.91.224204
Abstract
Within density-functional theory, we apply an electronic-structure-based thermodynamic theory to calculate short-ranged order (SRO) in homogeneously disordered substitutional N-component alloys, and its electronic origin. Using the geometric properties of an (N−1) simplex that describes the Gibbs (compositional) space, we derive the analytic transform of the SRO eigenvectors that provides a unique description of high-temperature SRO in N-component alloys and the incipient low-temperature long-range order. We apply the electronic-based thermodynamic theory and the new general analysis to ternaries (A1 Cu-Ni-Zn and A2 Nb-Al-Ti) for validation, and then to quinary Al-Co-Cr-Fe-Ni high-entropy alloys for predictive assessment.
Copyright Owner
American Physical Society
Copyright Date
2015
Language
en
File Format
application/pdf
Recommended Citation
Signh, Prashant; Smirnov, Andrei V.; and Johnson, Duane D., "Atomic short-range order and incipient long-range order in high-entropy alloys" (2015). Ames Laboratory Publications. 268.
https://lib.dr.iastate.edu/ameslab_pubs/268
Comments
This article is from Phys. Rev. B 91, 224204 (2015), doi:10.1103/PhysRevB.91.224204. Posted with permission.