| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Structure and Dynamics of Metallic Glasses
|
| Presentation Title |
The Role of Structural Motifs in Deformation Behavior of Simulated Metallic Glasses |
| Author(s) |
Suzanne LoTempio, W. Porter Weeks, Katharine Flores |
| On-Site Speaker (Planned) |
Suzanne LoTempio |
| Abstract Scope |
Developing physics-based models for mechanical deformation of metallic glasses are complicated by their inherent structural disorder. Here, we examine changes in the short-range order of simulated glasses during elastic and plastic deformation. Our approach utilizes point pattern matching to evaluate the geometric similarity between nearest-neighbor atomic clusters in the glass. The cluster similarity values are fed into a machine learning clustering algorithm (HDBSCAN) to group structural units with similar geometries. This process results in 6-8 distinct geometric motifs that can be analyzed as a function of glass composition and strain. A more in-depth study of the motif geometry includes calculation of the expected site occupancy for common atomic positions. Distinct “defect-like” characteristics, such as double occupancy (interstitials) and vacancies have been observed. We investigate the role of these motifs and possible “point defects” in the deformation behavior of simulated Cu- Zr metallic glasses. |
| Proceedings Inclusion? |
Planned: |