微量钪锆对Al-Fe合金细化作用的电子理论研究.pdfVIP

学兔兔 铸 造 Aug．2015 · 728· FOUNDRY Vo1．64 NO．8 微量钪锆对Al—Fe合金细化作用的电子理论研究 潘海成 ，向青春 (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) 摘要：运用固体经验电子理论，对复合添加微量sc和Zr的A1．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A1．Fe合金的晶粒细化作用。结果表明：sc、zr原子和A1原子有更强烈的交互作用， 在合金熔体中形成A1．Sc、A1．zr和A1．Sc．Zr偏聚区，析出大量细小弥散的Al Sc、A13Zr和A1 (ZrxSc )粒子，作为非均质 形核核心，对A1基体晶粒和初生A13Fe相晶粒起到强烈的晶粒细化作用。 关键词：A1．Fe合金；价电子结构；偏聚；晶粒细化 中图分类号：TG146．2 1 文献标识码：A 文章编号：1001—4977(2o15)08—0728—04 Research on Electronic Theory of Trace Scandium and Zirconium Compound Alloying for AI．Fe Alloy PAN Hai-chen ，XIANG Qing—chun2 (1．Suqian College，Suqian 223800，Jiangsu，China；2．School ofMaterials Science and Engineering，Shenyang University ofTechnology,Shenyang 1 10870，Liaoning，China) Abs~act：The valence electron structures ofA1一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 A1一Fe alloy from the electronic level ofmicro alloy segregation theory．The results show that the stronger interaction ofA1 with Sc and Zr,which leads to the behavior ofA1--Sc segregation,A1·-Zr segregation and A1-Sc—Zr segregation,promoted the precipitations of many small and dispersion A13Sc，A13Zr and AI3 (Zr,Scl~)particles，and could produce the remarkable refinement in the grain size ofAl matrix grain and primary A13Fe phase grain in A1-Fe alloy． Key words：A1一Fe alloy；valence electronic structure；segregation；grain refinement 铝铁合金在保持铝合金质轻的基础上，通过铁元 细化作用，对合金性能的改善值得期待。 素的加入形成A1 Fe金属间化合物，出现硬度高、耐