Evolution Mechanisms of Nano-Clusters in a Large-Scale System of 10⁶ Liquid Metal Atoms During Rapid Cooling Processes

Abstract:

A molecular dynamics simulation study has been performed for a large-sized system consisting of 106 liquid metal Al atoms to investigate the evolution characteristics of nano-clusters formed during rapid solidification processes. The cluster-type index method (CTIM) has been applied to describe the structural configurations of the basic clusters and nano-clusters. The results show that the icosahedral clusters (12 0 12 0) and their combinations play a critical role in the microstructural transitions. The nano-clusters are mainly formed by combining basic and medium sized clusters through continuous evolution. Their structural configurations are different from the multi-shell structures obtained by gaseous deposition, ionic spray, and so on. The central atoms of basic clusters composing the nano-cluster are bonded with each other, some central atoms are multi-bonded, and others single-bonded.

• Periodical: Solid State Phenomena (Volumes 121-123)
• Pages: 1049-1052
• DOI: https://doi.org/10.4028/www.scientific.net/SSP.121-123.1049
• Online since: March 2007
• Authors: Rang Su Liu, Z.A. Tian, X.H. Yi, H.R. Liu, P. Peng
• Keywords: Evolution Mechanism, Liquid Metal, Nanocluster, Solidification Process

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