A simulation study of microstructure evolution during solidification process of liquid metal Ni |
| |
| Authors: | Liu Hai-Rong Liu Rang-Su Zhang Ai-Long Hou Zhao-Yang Wang Xin and Tian Ze-An |
| |
| Affiliation: | College of Materials Science and Chemical Engineering, Hunan University, Changsha 410082, China; Department of Physics, Hunan University, Changsha 410082, China |
| |
| Abstract: | 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. |
| |
| Keywords: | liquid metal Ni cooling rate crystallization process microstructure evolution molecular dynamics
simulation |
|
| 点击此处可从《中国物理 B》浏览原始摘要信息 |
|
点击此处可从《中国物理 B》下载免费的PDF全文 |
|
