【摘要】 利用分子动力学模拟技术,详细考察了在快速凝固条件下Al₃Fe熔体结构的温度变化特征.结果表明:Al₃Fe熔体中存在不同类型的原子基团.原子集团是以各种各样的键对和多面体的形式存在的.利用键对分析技术,计算出了不同温度下的键对类型数和二十面体的两类键取向序参数,分析了Al-Fe合金在快速凝固条件下非晶形成的演化特点.更多还原

【Abstract】 By the molecular dynamics simulation technology, the properties of liquid Al3Fe has been investigated under the quick cooling conditions. The results demonstrate that there are various clusters in Al3Fe melt and the cluster is made of pairs and polyhedras. Using pair analysis, the number of pairs and bonded orientation order parameters have been calculated. The characters of changes of noncrystalline have been analysed under the quick cooling conditions.更多还原