Fe-Mn合金层错能的嵌入原子法计算  

Calculation of the Stacking Fault Energies of Fe Mn Alloys by Embedded Atom Method

作　　者：戎咏华[1] 孟庆平[1] 何刚[1] 徐祖耀[1] 

机构地区：[1]上海交通大学材料科学与工程学院,上海200030

出　　处：《上海交通大学学报》2003年第2期171-174,共4页Journal of Shanghai Jiaotong University

基　　金：上海市科委新材料中心资助项目 ( 99JC1 40 1 9)

摘　　要：运用嵌入原子法 (EAM)计算了 Fe- Mn合金层错能 (SFE) .采用 Johnson截断修正模型计算的结果表明 ,Fe- Mn合金的层错能随 Mn含量的增加而线性增大 .该趋势与本文实验结果一致 ,而且 Fe- 2 0 Mn(原子分数 ,% )合金中的层错能计算结果 (2 8m J/m2 )与 Kato等的热力学计算结果(2 6m J/m2 )较为吻合 .当 a(Mn) =2 0 %～ 55%时 ,γ相的层错能可表达为 :SFE(m J/m2 ) =2 3.3+0 .2 69×a(Mn) % .Embedded-atom method (EAM) was introduced to calculate the stacking fault energies (SFE) of Fe-Mn alloys. The calculated results based on Johnson's truncation model and its modified model indicate that the SFE in Fe-20Mn alloy increases with the increase of Mn content and the tendency is well consistent with our experiments. Moreover, the SFE in Fe-20Mn is well agreement with that thermodynamically calculated by Kato et al. The SFE or γ phase in Fe-Mn alloys with α(Mn)=20%-55% can be expressed as; SFE (mJ/m2)=23.3+0.269 α(Mn)%.

关 键 词：嵌入原子法 层错能 FE-MN合金 

分 类 号：TG111.5[金属学及工艺—物理冶金]