About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Theory and Design of Metallic Glasses
|
| Presentation Title |
Phase Transformation Pathways and Stability Demonstrating Two Distinct Phases of Amorphous Metallic Glasses |
| Author(s) |
Yidi Shen, Konrad Samwer, William L. Johnson, William A. Goddard III, Qi An |
| On-Site Speaker (Planned) |
William L. Johnson |
| Abstract Scope |
Metallic glasses exhibit exceptional properties but suffer from property variability stemming from structural heterogeneity. Using large-scale molecular dynamics simulations, we reveal the existence of two metastable amorphous phases in Cu–Zr systems:
• a homogeneous, low-rigidity liquid-like L-phase and
• a heterogeneous, high-stiffness solid-like G-phase.
The G-phase forms via a first-order transition from the undercooled L-phase and is thermodynamically stable below ~990 K. Crystallization occurs only from the L-phase and is suppressed in the presence of G, explaining the embrittlement observed in annealed glasses. Additionally, we identify a solid-state transition pathway from crystalline to amorphous phases through accumulation of anti-site defects mimicking effects of irradiation or mechanical milling. Defect-driven disordering leads to collapse of the crystal and formation of either L-phase or the G-phase after annealing. Our work provides a unified framework for understanding phase stability and transitions among crystalline and glassy states, with implications for tailoring mechanical properties through processing. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Phase Transformations, Shaping and Forming |