含Mg,W高温合金γ′相的电子结构

• 作 者: 朱凯 王崇愚
• 机 构: 中国科技大学,北京冶金工业部钢铁研究总院2室,
• 出 处: 金属学报
• 发表日期: 1988年06期
• 关键词: γ′相 W 高温合金 电子结构 Mg合金化 Ni_3Al 原子半径 格林函数 外层电子 递推方法

本文用实空间格林函数递推方法,计算了含杂质Mg,W的γ′-Ni_3Al相的电子结构,结果表明,Mg和W原子进入γ′相后都失去部分外层电子,使得原子半径减小,从而有利于杂质以替代方式进入γ′相;Mg和W原子同时进入γ′相,使Mg与γ′基体之间的相互作用增强,有利于γ′相产生稳定结构。

In this paper, the electron structure of the γ’-Ni_3Al phase containing Mg and W impurities has been calculated by the real-space Green’s function recursion method. The results show that some outer electrons are lost after Mg and W atoms enter γ ’ Small, which is conducive to the impurity into the γ ’phase in an alternative way; the Mg and W atoms enter into the γ’ phase at the same time, so that the interaction between Mg and γ ’matrix is ​​enhanced, which is favorable for the stable structure of γ’ phase.