A molecular dynamics study of growth anisotropy in Al melt

作者：Men H^*

来源：Modelling and Simulation in Materials Science and Engineering, 2016, 24(1): 015008.

DOI：10.1088/0965-0393/24/1/015008

• crystal growth
• atomic ordering
• interface
• anisotropy
• MD simulations

In this paper, we investigated the growth kinetics and physical origin of the anisotropy at the (1 1 1), (1 1 0) and (1 0 0) interfaces in the growth of Al, using molecular dynamics (MD) simulations. The simulation results reveal that the growth is usually involved in slight adjustment of the atomic positions at the interfaces during the solidification, and the pronounced atomic ordering at the interface may facilitate the in-layer displacement and z-displacement (z-displacement involves the motion between layers) of the atoms during the solidification. The stacking fault island that previous authors proposed isn't observed in this study, and the occurrence of stacking fault island may be not a general mechanism for the slow growth of the (1 1 1) interface. The (1 1 0) and (1 0 0) interfaces may be reconstructed and become rougher than the (1 1 1) interface, and this might be the physical origin of the growth anisotropy in the fcc metals.

• 出版日期2016-1