摘要
运用分子动力学模拟方法对铝熔体中夹杂物与氢气关系进行研究,从径向分布函数、均方位移、配位数等方面分析Al_2O_3对铝熔体中氢扩散行为的影响。模拟结果表明,Al_2O_3夹杂物会破坏铝熔体中铝原子的有序排列,形成空位,大量的氢在空位上聚集,为氢气泡的形成创造条件,且在一定范围内,铝熔体中Al_2O_3原子含量越高,氢的聚集程度越大。A356铝屑再生试验进一步表明杂气是相互依存和作用的,排杂是除气的基础。
The molecular dynamics simulation method was used to study the relationship between Al2O3 inclusions and hydrogen in aluminum melt. The influence of Al2O3 on the behavior of hydrogen diffusion in aluminum melt was analyzed from the mean square displacement, radial distribution function and coordination number. The simulation results show that Al2O3 inclusions can destroy the ordered arrangement of aluminum atoms in the aluminum melt and form vacancies. A large amount of hydrogen can accumulate in the vacancies to create the conditions for the formation of hydrogen bubbles. And within a certain range, the higher the Al2O3 content in the aluminum melt is, the higher the degree of hydrogen aggregation will be. The A356 aluminum scrap regeneration test further shows that Al2O3 and hydrogen are interdependent and interactive, and removing oxidation inclusions from aluminum melt is the fundamental step of eliminating hydrogen.
作者
孙泽棠
傅高升
王火生
陈鸿玲
宋莉莉
SUN Ze-tang;FU Gao-sheng;WANG Huo-sheng;CHEN Hong-ling;SONG Li-li(School of Mechanical Engineering and Automation, Fuzhou University, Fuzhou 350116, Fujian, China;Ningde Vocational and Technical College, Ningde 355000, Fujian, China;Department of Materials Science and Engineering, Fujian College of Engineering, Fuzhou 350118, Fujian, China)
出处
《铸造》
CAS
CSCD
北大核心
2018年第6期497-501,共5页
Foundry
基金
福建省自然科学基金资助项目(2017J01156).
关键词
铝熔体
氧化夹杂物
氢
分子动力学模拟
aluminum melt
oxidation inclusions
hydrogen
molecular dynamics simulation
