Vacancies and antisites in B2 FeAl and DO3Fe3Al with a modified analytic EAM model

被引：0
|
作者：
Shu, Xiaolin [1 ]
Hu, Wangyu [1 ]
Xiao, Hanning [1 ]
Deng, Huiqiu [1 ]
机构：
[1] Coll. of Mat. Sci. and Eng., Hunan Univ., Changsha 410082, China
来源：
Journal of Materials Science and Technology | 2001年 / 17卷 / 06期
关键词：
Aluminum - Crystal lattices - Iron - Mathematical models - Structural metals;
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学科分类号：
摘要：
A simple modified analytic EAM model for bcc Fe and fcc Al was used to calculate the lattice constants and elastic constants of B2 FeAl and DO3Fe3Al alloys. The formation energies of vacancy and antisite were also calculated. The present calculations are in agreement with the experimental data and the theoretical results obtained by other authors. It is indicated that the method, which only uses the properties of constituents to calculate the properties of an alloy, is quite effective and satisfying.
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页码：601 / 604
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