液态锌凝固过程中的分子动力学模拟研究  

Molecular dynamics simulation of the rapid solidification of liquid zinc

作　　者：邱红臣[1] 张运[1] 杨潍[1] 武建军[1] 

机构地区：[1]河北工业大学材料科学与工程学院,天津300130

出　　处：《河北工业大学学报》2011年第4期46-50,共5页Journal of Hebei University of Technology

摘　　要：采用Morse势函数,用分子动力学方法研究了冷却速度对液态金属锌凝固过程微观结构的影响.利用径向分布函数、能量分析、Voronoi多面体结构分析等方法分析了凝固过程中的微观结构演变特征.结果表明,冷却速率大于2.5×1012 K/s时,得到非晶态结构;冷却速率小于7.0×1011 K/s时,将发生结晶.同时发现,在结晶时冷却速率越慢,结晶转变温度越高;发生非晶转变时,冷却速度越快,其非晶转变温度g越高.The cooling rate has great influence on the microstructure and performance during the hot-dip process of zinc on the surface of steel.Molecular dynamics simulation based on the Morse potential was carried out to investigate the rapid solidification of Zn.Radial distribution function,energy analysis,Voronoi polyhedral structure analysis were used to analyze the microstructure evolution in the solidification process.The results indicate that amorphous structure forms when the cooling rate exceeds 2.5×10^12 K/s;crystal forms when the cooling rate is less than 7.0×10^11 K/s.The crystallization temperature increases with cooling rate decreasing and amorphous transition temperature increases with cooling rate decreasing.

关 键 词：锌 液态金属 分子动力学 MORSE势 快速凝固 微观结构 

分 类 号：TG174.44[金属学及工艺—金属表面处理]