Mg-Y合金的电子理论研究  

Electron Theory Research in Mg-Y Alloy

作　　者：郭旭涛[1] 李培杰[1] 曾大本[1] 

机构地区：[1]清华大学机械工程系,北京100084

出　　处：《中国稀土学报》2003年第6期672-676,共5页Journal of the Chinese Society of Rare Earths

基　　金：985"清华大学基础研究基金重点项目(j22001001)

摘　　要：添加稀土元素Y,可以显著提高镁合金的力学性能特别是高温力学性能。通过固体与分子经验电子理论(EET)对Mg Y合金进行了价电子结构分析:纯金属晶体计算结果显示Y应处于第五杂阶,证实了Mg应处于第三杂阶。对比Mg Al合金,阐明了Y优于Al在镁合金中的固溶强化作用的电子理论依据是键能得到增强;同时用电子理论解释了Mg24Y5中间相在镁合金中具有显著强化作用的原因是Y原子占据八面体中心位置,Mg-Y键有效强化了合金基体。Adding yttrium to magnesium can improve the mechanical properties, especially the mechanical behavior of magnesium alloys under high temperature. The valence electron structures of Mg-Y alloy with the empirical electron theory of solids and molecules(EET) were analysed. Calculation displays that yttrium is on the fifth hybrid level and magnesium is on the third one in pure metal crystal. The result shows that the solution strength effect of yttrium is better than that of aluminum and the reason is the enhanced bond energy, and that intermetallics Mg24Y5 can improve the magnesium alloy properties significantly because yttrium atom occupies the center of the octahedron and Mg-Y bonds efficiently strengthen the alloy matrix.

关 键 词：金属材料 钇 余氏理论 固溶强化 第二相强化 稀土 Mg-Y合金 电子理论 力学性能 电子结构 

分 类 号：TG146.22[一般工业技术—材料科学与工程]