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化学学报
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化学学报 ›› 1999, Vol. 57 ›› Issue (7): 775-781. 上一篇    下一篇

研究论文

金属间化合物Al~3Fe熔体结构的温度变化特性研究

李辉;边秀房;刘相法;李玉忱   

  1. 山东工业大学材料学院
  • 发布日期:1999-07-15

The properties of Al~3Fe melt under the different temperatures

Li Hui;Bian Xiufang;Liu Xiangfa;Li Yuchen   

  • Published:1999-07-15

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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。

关键词: 金属间化合物, 铁合金, 铝合金, 熔体, 分子动力学, Ｘ射线衍射分析

By the molecular dynamics simulation technology, the properties of liquid Al~3Fe has been investigated under the quick cooling conditions. The results demonstrate that there are various clusters in Al~3Fe melt and the cluster is made of pairs and polyhedras. Using pair analysis, the number of pair and bonded orientation order parameters have been calculated. The characters of changes of noncrystalline have been analysed under the quick cooling conditions.

Key words: INTERMETALLIC COMPOUNDS, IRON ALLOYS, ALUMINIUM ALLOYS, FUSE ELEMENTS, MOLECULAR DYNAMICS, X-RAY DIFFRACTION ANALYSIS

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