Atomic Scale Investigation of Nucleation Process by the Phase Field Crystal Model

Author of the article:GUO Can 1 ， 2 , ZHANG Yichi 1 , GAO Ying 1 , LIU Shuaishuai 1 , MA Chao 3 , WANG Wei 3 , ZHANG Zhong

Author's Workplace：1. School of Materials Science and Engineering, Xi'an University of Technology, Xi'an 710048, China; 2. Xi'an Key Laboratory of Advanced Magnesium Alloy Additive Manufacturing and Precision Forming, Xi'an 710048, China; 3. Material Research Center, CITIC Dicastal Co., Ltd., Qinhuangdao 066000, China

Key Words：phase field crystal model; numerical modelling; classical nucleation theory; two-step nucleation

Abstract：The nucleation process of triangular phase was simulated by crystal phase field model. The nucleation rate and
incubation time under different initial density and temperature parameters were statistically analyzed. The results show that
there are two types of nucleation pathways, classical single-step nucleation and nonclassical two-step nucleation, and
two-step nucleation is the main nucleation at low density and low temperature. For triangular crystals, the initial density and
temperature parameters affect the nucleation mode and morphology by affecting the growth dynamics and the properties of
solid-liquid interface. The nucleation rate increased rapidly with decreasing temperature, while the nucleation incubation
time decreased with decreasing temperature. With the increase of the initial density, while the nucleation rate decreases and
the nucleation incubation time increases.