| About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
Bulk Metallic Glasses XVIII
|
| Presentation Title |
Glass Forming Ability of the Cu-Zr Alloys: What Do We Learn from Molecular Dynamics Simulation? |
| Author(s) |
Mikhail Mendelev, Yang Sun, Feng Zhang, Cai-Zhuang Wang, Kai-Ming Ho |
| On-Site Speaker (Planned) |
Mikhail Mendelev |
| Abstract Scope |
The fast increase in computation power allowed to decrease the cooling rate in MD simulation of vitrification by several orders of magnitude which led in some cases to unexpected results. In particular, it was recently found that the most popular potentials for the Cu-Zr alloys do not actually describe a good glass forming system and predict fast crystallization of the Cu64.5Zr35.5 alloy. We developed a new Cu-Zr potential suitable to simulate vitrification. No crystal nucleation was observed in MD simulation using this potential in the concentration range from 75 % to 5% of Zr. Since the new potential leads to about the same liquid structure and viscosity as the earlier Cu-Zr potentials, our study clearly shows that no reliable conclusions about the glass formability can be deduced based solely on the analysis of the liquid properties and a nucleation/crystal growth study should be performed to address this question. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Solidification, |