| Autor: |
Xi, J., Bokas, G., Schultz, L. E., Gao, M., Zhao, L., Shen, Y., Perepezko, J. H., Morgan, D., Szlufarska, I. |
| Rok vydání: |
2020 |
| Předmět: |
|
| Zdroj: |
Computational Materials Science, 185 (2020) 109958 |
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1016/j.commatsci.2020.109958 |
| Popis: |
The icosahedral-like polyhedral fraction (ICO-like fraction) has been studied as a criterion for predicting the glass-forming ability of bulk ternary metallic glasses, Al90Sm8X2 (X = Al (binary), Cu, Ag, Au), using ab initio molecular dynamics (AIMD) simulations. We found that the ICO-like fraction can be determined with adequate precision to explore correlations with AIMD simulations. We then demonstrated that ICO-like fraction correlates with the critical cooling rate, which is a widely used intrinsic measure of glass forming ability. These results suggest that the ICO-like fraction from AIMD simulations may offer a useful guide for searching and screening for good glass formers. |
| Databáze: |
arXiv |
| Externí odkaz: |
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