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Precipitates of Cr at Σ3 <110> {112} GB in α-Fe

Published online by Cambridge University Press:  27 February 2014

Y.Y. Dai ,
L. Ao ,
Q.Q. Sun ,
L. Yang ,
J.L. Nie ,
S.M. Peng ,
X.G. Long ,
X.S. Zhou ,
X.T. Zu  and
L. Liu
...Show all authors
Y.Y. Dai
Affiliation:
School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054, China
L. Ao
Affiliation:
School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054, China
Q.Q. Sun
Affiliation:
School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054, China School of Science, Huaihai Institute of Technology, Lianyungang 222005, China Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900, China
L. Yang
Affiliation:
School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054, China
J.L. Nie
Affiliation:
School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054, China
S.M. Peng
Affiliation:
Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900, China
X.G. Long
Affiliation:
Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900, China
X.S. Zhou
Affiliation:
Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900, China
X.T. Zu
Affiliation:
School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054, China
L. Liu
Affiliation:
Department of Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180, USA
X. Sun
Affiliation:
Pacific Northwest National Laboratory, P.O. Box 999, Richland, WA 99352, USA
F. Gao
Affiliation:
Pacific Northwest National Laboratory, P.O. Box 999, Richland, WA 99352, USA
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Abstract

Precipitates of Cr at Σ3 <110> {112} GB in α-Fe have been studied using molecular dynamics with a two-band embedded atomic model potential. The accumulation and segregation of Cr atoms and the evolution of the GB depend on local Cr concentration and temperature. At the early stage, with the existence of vacancies, the strong attraction of Cr with the GB core provides a pathway for Cr atoms to quickly accumulate within the GB core. With the increase of Cr concentration, the size of Cr dilute precipitates increases dramatically. And the strong segregation of Cr at the GB is observed, when Cr concentration reach 20%. Also, the size of Cr precipitates increases with increasing the temperatures from 300 K to 1000 K. The accumulation and segregation of Cr atoms at the GB lead to significant deformation of the GB structure and the formation of GB steps, causing the displacement and broadening of the GB.

Keywords

CrFegrain boundaries
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1645: Symposium EE/ZZ – Advanced Materials in Extreme Environments , 2014 , mrsf13-1645-zz06-02
Copyright
Copyright © Materials Research Society 2014 

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References

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