Atomistic computer study on Mg segregation in the Ni3Al grain boundary

被引：11

作者：

Jiang, BY

Liu, XH

Zou, SC

Sun, J

Wang, J

机构：

[1] Chinese Acad Sci, Shanghai Inst Met, Ion Beam Lab, Shanghai 200050, Peoples R China

[2] Shanghai Jiao Tong Univ, Dept Mat, Shanghai 200030, Peoples R China

[3] Fudan Univ, Dept Mat, Shanghai 200433, Peoples R China

来源：

JOURNAL OF MATERIALS RESEARCH | 1998年 / 13卷 / 07期

关键词：

D O I：

10.1557/JMR.1998.0242

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The embedded atom method (EAM) was applied to calculate the energy on Mg doping in polycrystalline Ni3Al. The EAM predicted the energy of ME in Al site in grain boundary is lower than that of Mg in Ni site and much lower than that of Mg in Al or Ni site in bulk and in free surface. It means that Mg would segregate to grain boundary rather than bulk and free surface and Mg will favor to be the substitute of Al rather than of Ni in grain boundary. These results were consistent with the experiments that ME segregated to grain boundaries with Al depletion and Ni enrichment.

引用

页码：1741 / 1744

页数：4

共 14 条

[1] IMPROVEMENT IN ROOM-TEMPERATURE DUCTILITY OF THE L12 TYPE INTERMETALLIC COMPOUND NI3A1 BY BORON ADDITION [J].