微量钪锆对Al-Fe合金细化作用的电子理论研究  

Research on Electronic Theory of Trace Scandium and Zirconium Compound Alloying for Al-Fe Alloy

作　　者：潘海成 向青春[2] 

机构地区：[1]宿迁学院,江苏宿迁223800 [2]沈阳工业大学材料科学与工程学院,辽宁沈阳110870

出　　处：《铸造》2015年第8期728-730,734,共4页Foundry

摘　　要：运用固体经验电子理论,对复合添加微量Sc和Zr的Al-Fe合金的价电子结构进行计算,从电子层次的微观合金偏聚理论分析微量元素对铸态Al-Fe合金的晶粒细化作用。结果表明:Sc、Zr原子和Al原子有更强烈的交互作用,在合金熔体中形成Al-Sc、Al-Zr和Al-Sc-Zr偏聚区,析出大量细小弥散的Al3Sc、Al3Zr和Al3(ZrxSc1-x)粒子,作为非均质形核核心,对Al基体晶粒和初生Al3Fe相晶粒起到强烈的晶粒细化作用。The valence electron structures of Al-Fe alloy with minor Sc and Zr were analyzed according to the Empirical Electronic Theory in solid and molecules（EET） in order to analyze the grain refining effect of trace elements on as-cast Al-Fe alloy from the electronic level of micro alloy segregation theory. The results show that the stronger interaction of Al with Sc and Zr, which leads to the behavior of Al-Sc segregation, Al-Zr segregation and Al-Sc-Zr segregation, promoted the precipitations of many small and dispersion Al3Sc, Al3Zr and AI3 （ZrxSc1-x） particles, and could produce the remarkable refinement in the grain size of Al matrix grain and primary Al3Fe phase grain in Al-Fe alloy.

关 键 词：AL-FE合金 价电子结构 偏聚 晶粒细化 

分 类 号：TG146.21[一般工业技术—材料科学与工程]