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利用分子动力学模拟技术,详细考察了在快速凝固条件下Al_3Fe熔体结构的温度变化特征.结果表明:Al_3Fe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.
Using molecular dynamics simulations, the temperature characteristics of Al 3 Fe melt under rapid solidification conditions were investigated in detail.The results show that there are different types of atomic groups in the Al 3 Fe melt.The atomic groups are characterized by a variety of bond pairs And polyhedron form.Using the keypair analysis technique, two types of bond order parameters of bond type and icosahedron at different temperatures were calculated, and the formation of amorphous phase of Al-Fe alloy under rapid solidification condition Evolution characteristics.