Mg-Al 合金价电子结构及合金元素对力学性能影响的研究

摘要

This paper focuses on the study of Mg-Al alloys in the aspect of valence electron.In order to know how to master,control and improve various properties of Mg-Al alloy,the relationship be-tween the electronic structure and mechanical properties of Mg-Al alloy phase and the situation of different alloys after adding alloying elements are discussed.By means of EET theory,improved TFD theory and alloy composition,valence electron theory is designed.Through computer soft-ware of C language programming,the valence electron structure of pure Mg,pure Al,Mg-Al alloy matrix phase and ternary alloys Mg-Al-Y is first calculated.Then,how different valence electron structure parameters affect the mechanical properties is studied.At last,the influence of different alloying elements on the mechanical properties of Mg-Al alloys is discussed.%着重于 Mg-Al 合金性能在价电子方面的研究。如何掌握、控制和改善 Mg-Al 合金的各种性能，在对 Mg-Al 合金相的电子结构与力学性能的关系以及在加入不同的合金元素导致合金化时的情形进行了讨论。借助余氏 EET 理论和程氏改进的 TFD 理论及合金成分设计价电子理论，通过 C 语言编程的计算机软件分别计算了纯 Mg、纯 Al、Mg-Al 合金基体相及三元合金 Mg-Al-Y 的价电子结构，研究了不同的价电子结构参数如何影响力学性能，分析讨论了不同的合金元素对 Mg-Al 合金力学性能的影响。