铸造2018，Vol.67Issue(6)：497-501,5.
铝熔体中夹杂物与氢相互关系的分子动力学模拟探索
Molecular Dynamics Simulation for Relationship Between Inclusions and Hydrogen in Aluminum Melt
摘要
Abstract
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.关键词
铝熔体/氧化夹杂物/氢/分子动力学模拟Key words
aluminum melt/oxidation inclusions/hydrogen/molecular dynamics simulation分类
矿业与冶金引用本文复制引用
孙泽棠,傅高升,王火生,陈鸿玲,宋莉莉..铝熔体中夹杂物与氢相互关系的分子动力学模拟探索[J].铸造,2018,67(6):497-501,5.基金项目
福建省自然科学基金资助项目(2017J01156). （2017J01156）
