Decomposition kinetics in Fe-Cu dilute alloys. Monte Carlo simulation using concentration-dependent interactions

被引：7
|
作者：
Shmakov, I. G. [1 ]
Razumov, I. K. [1 ,2 ]
Gorbatov, O. I. [1 ,3 ]
Gornostyrev, Yu. N. [1 ,2 ]
Korzhavyi, P. A. [1 ,3 ]
机构：
[1] Russian Acad Sci, Inst Met Phys, Ural Branch, Ul S Kovalevskoi 18, Ekaterinburg 620990, Russia
[2] Inst Quantum Mat Sci, Ul Bazhova 51, Ekaterinburg 620075, Russia
[3] KTH Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden
来源：
JETP LETTERS | 2016年 / 103卷 / 02期
基金：
俄罗斯科学基金会; 俄罗斯基础研究基金会;
关键词：
BCC; MAGNETISM; COPPER; IRON;
D O I：
10.1134/S0021364016020120
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
A generalization of the statistical (Monte Carlo) simulation technique for determining the structure of alloys is proposed. It takes into account the dependence of effective interactions between the atoms of a dissolved chemical element on their local concentration. Using the ab initio parametrization of the model, the decomposition of the bcc Fe-Cu alloy accompanied by the formation of Cu nanoprecipitates is studied. It is shown that the concentration dependence of effective interactions significantly affects the decomposition kinetics by displacing its onset to longer times in agreement with the experiment.
引用
收藏
页码：112 / 116
页数：5
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    Yu. N. Gornostyrev
    P. A. Korzhavyi
    [J]. JETP Letters, 2016, 103 : 112 - 116
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