1. Visualizing Temperature-Dependent Phase Stability in High Entropy Alloys
- Author
-
Evans, Daniel, Chen, Jiadong, Hautier, Geoffroy, and Sun, Wenhao
- Subjects
Condensed Matter - Materials Science ,Materials Science (cond-mat.mtrl-sci) ,FOS: Physical sciences - Abstract
High Entropy Alloys (HEAs) contain near equimolar amounts of five or more elements and are a compelling space for materials design. Great emphasis is placed on identifying HEAs that form a homogeneous solid-solution, but the design of such HEAs is hindered by the difficulty of navigating stability relationships in high-component spaces. Traditional phase diagrams use barycentric coordinates to represent composition axes, which require D = (N - 1) spatial dimensions to represent an N-component system, meaning that HEA systems with N > 4 components cannot be readily visualized. Here, we propose forgoing barycentric composition axes in favor of two energy axes: a formation-energy axis and a 'reaction energy' axis. These Inverse Hull Webs offer an information-dense 2D representation that successfully capture complex phase stability relationships in N > 4 component systems. We use our new diagrams to visualize the transition of HEA solid-solutions from high-temperature stability to metastability upon quenching, and identify important thermodynamic features that are correlated with the persistence or decomposition of metastable HEAs., 18 pages, 5 figures
- Published
- 2020
- Full Text
- View/download PDF