The Crystallization Process of Al Melts under Pressure by Molecular Dynamics Simulations

Author of the article:AN Simin, GAO Xingyu, LIU Yu, SUN Bo, LIU Haifeng, SONG Haifeng

Author's Workplace：Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China

Key Words： pressure; crystallization; molecular dynamics simulation; crystal growth rate; crystal orientation

Abstract：Since temperature and pressure are not equivalent thermodynamic variables, the effects of changing pressure and
temperature on the crystallization process are also different. However, the related research on the influence of pressure on
crystallization is far from completed. In this paper, we study the crystallization process of Al melts at different temperatures
at 5 GPa using molecular dynamics simulations.We reveal that the crystal growth rates during the crystallization process of
Al melts at 5 GPa increase with decreasing temperature, up to~125.1 m/s. We also analyse the atomic mechanism during
the crystallization process. Multiple crystal orientations coexist in the same grain. During crystallization, the orientations
compete, and finally pressure and temperature select the preferred orientation.