%0 Journal Article
%T A simulation study of microstructure evolution during solidification process of liquid metal Ni
%A Liu Hai-Rong
%A Liu Rang-Su
%A Zhang Ai-Long
%A Hou Zhao-Yang
%A Wang Xin
%A Tian Ze-An
%A <br>刘海蓉
%A 刘让苏
%A 张爱龙
%A 侯兆阳
%A 王 鑫
%A 田泽安
%J 中国物理 B
%D 2007
%I 
%X A molecular dynamics simulation study has been performed for the microstructure evolution in a liquid metal Ni system during crystallization process at two cooling rates by adopting the embedded atom method (EAM) model potential. The bond-type index method of Honeycutt--Andersen (HA) and a new cluster-type index method (CTIM-2) have been used to detect and analyse the microstructures in this system. It is demonstrated that the cooling rate plays a critical role in the microstructure evolution: below the crystallization temperature $T_{\rm c}$, the effects of cooling rate are very remarkable and can be fully displayed. At different cooling rates of $2.0\times10^{13}$\,K\,$\cdot$\,s$^{-1}$ and $1.0\times10^{12}$\,K\,$\cdot$\,s$^{-1}$, two different kinds of crystal structures are obtained in the system. The first one is the coexistence of the hcp (expressed by (12 0 0 0 6 6) in CTIM-2) and the fcc (12 0 0 0 12 0) basic clusters consisting of 1421 and 1422 bond-types, and the hcp basic cluster becomes the dominant one with decreasing temperature, the second one is mainly the fcc (12 0 0 0 12 0) basic clusters consisting of 1421 bond-type, and their crystallization temperatures $T_{\rm c}$ would be 1073 and 1173\,K, respectively.
%K liquid metal Ni
%K cooling rate
%K crystallization process
%K microstructure evolution
%K molecular dynamics simulation<br>液态金属
%K 镍
%K 冷却率
%K 晶体
%K 微观结构
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=CD8D6A6897B9334F09D8D1648C376FB4&aid=912AE4EA7C0F0533643FAEF9FA3CC963&yid=A732AF04DDA03BB3&vid=7801E6FC5AE9020C&iid=59906B3B2830C2C5&sid=64A7D9D26DF68B46&eid=9B758342CF31780E&journal_id=1009-1963&journal_name=中国物理&referenced_num=0&reference_num=0