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Site preference of alloying elements in Fe3Al-based alloys

Published online by Cambridge University Press:  31 January 2011

Xiao Dong Ni ,
Nan Xian Chen ,
Jiang Shen ,
Zu Qing Sun  and
Wang Yue Yang
Xiao Dong Ni
Affiliation:
Applied Physics Institute, University of Science and Technology Beijing, China
Nan Xian Chen
Affiliation:
Applied Physics Institute, University of Science and Technology Beijing, China
Jiang Shen
Affiliation:
Applied Physics Institute, University of Science and Technology Beijing, China
Zu Qing Sun
Affiliation:
Department of Material Science and Engineering, University of Science and Technology, Beijing, China
Wang Yue Yang
Affiliation:
Department of Material Science and Engineering, University of Science and Technology, Beijing, China
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Abstract

On the basis of the first principle interatomic potentials, the site preference of various alloying elements in Fe3Al were evaluated for Ti, Si, Ni, Mn, Mo, and Cr, respectively. The calculated results of the substitutional distribution were in good agreement with the experimental results. Moreover, the calculated results showed that H atoms in Fe3Al prefer to occupy the Fe-type octahedral interstice on the surface, which resulted in concentration of H atoms on the surface. Cr addition decreased the absorbability of Fe3Al-based alloys for H atoms and the force to drive H atoms segregating to surface. The concentration of H atoms on the surface can be decreased by Cr addition.

Type
Articles
Information
Journal of Materials Research , Volume 16 , Issue 2 , February 2001 , pp. 344 - 351
Copyright
Copyright © Materials Research Society 2001

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