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| A Study on Thermal Stability of Nanocrystalline Pillars |
| ;Zhou Nai-Gen; |
| 南昌大学 |
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Cite this article:
Zhou Nai-Gen. A Study on Thermal Stability of Nanocrystalline Pillars. Acta Metall Sin, 2008, 44(1): 34-38 .
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Abstract Using nanocrystalline pillars as models of surface quantum dots, their structural stability has been studied. Molecular dynamics simulations of relaxation processes of aluminum nanocrystalline pillars of different sizes at different temperatures have been carried out. An EAM potential developed by Ercolessi was used to calculate of the inter-atomic forces. The results show that, for nanocrystalline pillars with near-square cross section and with {110} and {211} planes as side surfaces, there exists a critical size for stability transition. The nano-pillars with thickness lower than the critical size melt quickly and then re-crystallized, while those with thickness larger than the critical size have gradual structural reconfiguration by surface migration of atoms. The reconstructed stable structures, through either the melt-recrystallization or surface migration, are polyhedrons consisting of {111} and {100} surfaces, with only the relative ratio of the areas of the two types of surfaces differing from case to case. The critical size increases linearly with raising temperature. The simulations also show that the stability of the nanocrystalline pillars is insensitive to their height.
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Received: 25 April 2007
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