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Melting and freezing behavior of aluminum nanoclusters with small size

Feng Dai-Li Feng Yan-Hui Zhang Xin-Xin

Melting and freezing behavior of aluminum nanoclusters with small size

Feng Dai-Li, Feng Yan-Hui, Zhang Xin-Xin
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  • Received Date:  22 August 2012
  • Accepted Date:  23 December 2012
  • Published Online:  20 April 2013

Melting and freezing behavior of aluminum nanoclusters with small size

  • 1. Department of Thermal Science and Energy Engineering, University of Science and Technology Beijing, Beijing 100086, China
Fund Project:  Project supported by the National Basic Research Program of China (Grant No. 2012CB720404), the National Natural Science Foundation of China (Grant Nos. 50836001, 51176011), and the Fundamental Research Fund for the Central Universities, China (Grant Nos. FRF-AS-12-002, FRF-TP-11-001B).

Abstract: The melting and freezing behavior of small-sized aluminum nanoclusters with radii ranging from 0.3 nm to 1.3 nm are investigated by molecular dynamics simulation. Based on the potential-temperature curves and heat capacity-temperature curves, the size dependences of melting point and freezing point are obtained and the results are analysed by the surface energy theory and small size effect. The results show a non-monotonic size-dependence of the melting temperature when the atom number of nanoclusters is less than 80. For those clusters with atom number more than 80, the melting and freezing point drop down monotonically with size decreasing. For some special cases, such as aluminum nanoclusters with atom number 27, the melting point is nearly 40 K higher than the bulk melting point. Besides, we observe a rather strong hysterisis of the liquid-solid transition, which states that it is much easier for a cluster to go from ordered to disordered than for the opposite process.

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