About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Bulk Metallic Glasses XX
|
Presentation Title |
The Role of Structural Motifs and Outliers in the Deformation of Metallic Glasses |
Author(s) |
Porter Weeks, Suzanne Russo, Katharine M. Flores |
On-Site Speaker (Planned) |
Porter Weeks |
Abstract Scope |
Machine learning-based clustering algorithms have recently been used to characterize the short-range order in disordered binary and ternary metallic systems. In contrast to other structural analyses (e.g. Voronoi), density-based clustering results in a surprisingly small number of characteristic structural motifs; only ~6-8 motifs are required to describe more than 95% of the atoms in the system. Variations in the population of these motifs with composition have been shown to be an excellent indicator of glass forming ability. This raises questions about the role of the characteristic motifs and outlier atoms in other properties, particularly mechanical deformation. Here, we investigate correlations between the populations of clusters in simulated Cu-Zr and Cu-Zr-Al glasses and their experimentally-determined mechanical properties, including nanoindentation modulus, hardness, and plastic work ratio. We then perform molecular dynamics simulations of selected glass compositions to investigate the evolution of clusters and outlier atoms during plastic deformation. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Mechanical Properties, Modeling and Simulation |