Nucleation of Cr precipitates in Fe-Cr alloy under irradiation

被引：15
作者：
Dai, Y. Y. [1 ,2 ]
Ao, L. [1 ]
Sun, Q. Q. [1 ,4 ]
Yang, L. [1 ]
Nie, J. L. [1 ]
Peng, S. M. [3 ]
Long, X. G. [3 ]
Zhou, X. S. [3 ]
Zu, X. T. [1 ]
Liu, L. [5 ]
Sun, X. [6 ]
Terentyev, D. [7 ]
Gao, F. [8 ]
机构：
[1] Univ Elect Sci & Technol China, Sch Phys Elect, Chengdu 610054, Peoples R China
[2] Southwest Univ Sci & Technol, Sch Mat Sci & Engn, Mianyang 621010, Peoples R China
[3] China Acad Engn Phys, Inst Nucl Phys & Chem, Mianyang 621900, Peoples R China
[4] Huaihai Inst Technol, Sch Sci, Lianyungang 222005, Peoples R China
[5] Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA
[6] Pacific NW Natl Lab, Richland, WA 99352 USA
[7] SCK CEN, Nucl Mat Sci Inst, B-2400 Mol, Belgium
[8] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2015年 / 101卷
基金：
中国国家自然科学基金;
关键词：
Cr precipitate; Fe-Cr alloys; Cascade overlap; Molecular dynamics; Metropolis Mont Carlo; MOLECULAR-DYNAMICS SIMULATION; DISPLACEMENT CASCADES; DEFECT PRODUCTION; TEMPERATURE; DAMAGE;
D O I：
10.1016/j.commatsci.2015.01.015
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The nucleation of Cr precipitates induced by overlapping of displacement cascades in Fe-Cr alloys has been investigated using the combination of molecular dynamics (MD) and Metropolis Monte Carlo (MMC) simulations. The results reveal that the number of Frenkel pairs increases with the increasing of overlapped cascades. Overlapping cascades could promote the formation of Cr precipitates in Fe-Cr alloys, as analyzed using short range order (SRO) parameters to quantify the degree of ordering and clustering of Cr atoms. In addition, the simulations using MMC approach show that the presence of small Cr clusters and vacancy clusters formed within cascade overlapped region enhance the nucleation of Cr precipitates, leading to the formation of large Cr dilute precipitates. (C) 2015 Elsevier B.V. All rights reserved.
引用
收藏
页码：293 / 300
页数：8
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