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原子尺度形核过程的晶体相场法研究
Atomic Scale Investigation of Nucleation Process by the Phase Field Crystal Model
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- DOI:
- 作者:
- 郭 灿 1 ， 2 ，张一弛 1 ，高 莹 1 ，刘帅帅 1 ，马 超 3 ，王 巍 3 ，张忠明
GUO Can 1 ， 2 , ZHANG Yichi 1 , GAO Ying 1 , LIU Shuaishuai 1 , MA Chao 3 , WANG Wei 3 , ZHANG Zhong
- 作者单位:
- 1. 西安理工大学 材料科学与工程学院，陕西 西安 710048；2. 西安市先进镁合金增材制造与精确成形重点实验室，陕西 西安 710048；3. 中信戴卡股份有限公司 材料研究中心，河北 秦皇岛 066000
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
- 关键词:
- 晶体相场模型；数值模拟；经典形核；分步形核
phase field crystal model; numerical modelling; classical nucleation theory; two-step nucleation
- 摘要:
- 采用晶体相场模型，模拟了理想液相中二维三角结构晶体的形核过程，发现其存在两种形核方式，经典单
步形核和分步形核，其中小密度和低温条件下以分步形核为主。 对于三角晶体，初始密度与温度参数均是通过影响其生
长动力学及固液界面性质来影响形核方式和晶核形貌。 统计了不同初始密度及温度参数下的形核率及形核孕育时间，
发现形核率先随温度降低迅速增大，形核孕育时间则随温度降低不断减小；随初始密度增大形核率不断减小，而形核孕
育时间则不断增大。
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.