Evolution mechanisms of nano-clusters in a large-scale system of 106 liquid metal atoms during rapid cooling processes

被引：0

作者：

Liu, R. S. ^{[1
]}

Tian, Z. A. ^{[1
]}

Yi, X. H. ^{[1
]}

Liu, H. R. ^{[2
]}

Peng, P. ^{[2
]}

机构：

[1] Hunan Univ, Dept Phys, Changsha 410082, Peoples R China

[2] Hunan Univ, Sch Mat Sci & Engn, Changsha 410082, Peoples R China

来源：

NANOSCIENCE AND TECHNOLOGY, PTS 1 AND 2 | 2007年 / 121-123卷

基金：

中国国家自然科学基金;

关键词：

liquid metal; solidification process; nano-cluster; evolution mechanism;

D O I：

10.4028/www.scientific.net/SSP.121-123.1049

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

A molecular dynamics simulation study has been performed for a large-sized system consisting of 10(6) 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.

引用

页码：1049 / 1052

页数：4

共 13 条

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