| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Structure-Property Relationships of Bulk Metallic Glasses
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| Presentation Title |
Spatial Evolution of Structural Motif Populations in Metallic Glasses during Shear Deformation |
| Author(s) |
Suzanne LoTempio, W. Porter Weeks, Katharine Flores |
| On-Site Speaker (Planned) |
Suzanne LoTempio |
| Abstract Scope |
In this work, we investigate how short-range atomic order within simulated metallic glasses correlates with mechanical behavior. An accurate method for characterizing short-range order is crucial for realizing trends between structure and properties in disordered systems. Our group uses the point pattern matching (PPM) geometric analysis method to evaluate the similarity between structural units in the simulated glass. Next, we use HDBSCAN, a density-based clustering algorithm, to group structural units with similar geometries. HDBSCAN groups atomic arrangements that are “similar enough” to each other into representative motifs. Using PPM and HDBSCAN together, we have shown that only 6-8 representative motifs describe more than 95% of a metallic glass structure. Using this PPM/HDBSCAN structural analysis approach, we investigate how the spatial distribution of motif populations in Cu-Zr metallic glasses evolves during shear deformation and relate this to describe experimentally observed mechanical behaviors, particularly the onset of strain localization in shear bands. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Mechanical Properties, Modeling and Simulation, |