朱凯
,
王崇愚
金属学报
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。
关键词:
高温合金
,
Ni_3Al_1
,
electronic structure
,
Mg alloying
ZHU Kai University of Science and Technology of China
,
Hefei
,
China WANG Chongyu Central Iron and Steel Research Institute
,
Ministry of Metallurgical Industry
,
Beijing
,
China Central Iron and Steel Research Institute
,
No.13
,
Taipingzhuang
,
Beijing
,
China
金属学报(英文版)
The calculation of electronic structure of γ'-Ni_3Al phase with or without Mg and W by the Recursion and LCAO methods clarified that Mg and W atoms lose their outer electrons par- tially after they entered γ'-Ni_3Al.It causes the reduction of the radii of the atoms.So it is preferable for Mg atom to enter γ'-phase by the substitution.The interaction between Mg and γ'-phase matrix may be strengthened and a more stable structure of γ'-phase may be formed while Mg and W entered γ'-Ni_3Al simultaneously.
关键词:
superalloy
,
null
,
null
,
null
