| Autor: |
Chen, Fuyi, C. Curley, Benjamin, Rossi, Giulia, L. Johnston, Roy |
| Zdroj: |
The Journal of Physical Chemistry - Part C; July 2007, Vol. 111 Issue: 26 p9157-9165, 9p |
| Abstrakt: |
Alloy nanoclusters (“nanoalloys”) are of interest because of their novel properties compared to bulk alloys. In this paper, the thermal behavior, including melting, of 55 atom Ag−Au nanoalloys has been investigated by molecular dynamics simulations using the Gupta many-body potential. Single melting runs exhibit a sharp transition from the cluster ground structures to the melt, while averaged results indicate that melting occurs in a size- and composition-dependent temperature range. The transition point (melting point) decreases with increasing Au concentration. Gold-rich AunAg55-nnanoalloys with n30−55 exhibit a very smooth transition from the ground state to their undercooled melt. Their thermal stability is influenced by the glass transition behavior of the pure amorphous Au55cluster. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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