About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Theory and Design of Metallic Glasses
|
| Presentation Title |
Characterization of Short-Range Order Symmetry and Stability in Simulated Metallic Glasses During Shear Deformation |
| Author(s) |
Suzanne Lotempio, Katharine Flores |
| On-Site Speaker (Planned) |
Suzanne Lotempio |
| Abstract Scope |
In this work, we investigate how short-range order (SRO) symmetry in Cu-Zr simulated metallic glasses evolves during shear deformation. An accurate method for characterizing SRO is crucial for realizing trends between structure and properties in disordered systems. Our group uses the point pattern matching (PPM) analysis technique to align simulated SRO units of the same coordination number to a template structure. The geometry of the total aligned structure is evaluated by applying k-means clustering to extract common atomic positions and the corresponding site occupancies. We demonstrate that the symmetry of SRO units remains stable in certain geometries, while others exhibit changes in atomic position, even in the elastic region. For SRO units that undergo frequent shifts in atomic position, we find that the relative positions of these ‘unstable’ atomic sites remain consistent across strain. We seek to relate these findings to experimental mechanical behavior, such as metallic glass anelasticity. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Mechanical Properties, |