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Phase-Field Study on the Segregation Mechanism of Additive Elements in NbSi2/MoSi2 Duplex Silicide

Published online by Cambridge University Press:  18 March 2013

Toshihiro Yamazaki ,
Yuichiro Koizumi ,
Akihiko Chiba ,
Koji Hagihara ,
Takayoshi Nakano ,
Koretaka Yuge ,
Kyosuke Kishida  and
Haruyuki Inui
Toshihiro Yamazaki
Affiliation:
Department of Materials Processing, Tohoku University, 6-6-02 Aoba Aramaki, Aoba-ku, Sendai, 980-8579, Japan Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-0011, Japan
Yuichiro Koizumi
Affiliation:
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-0011, Japan
Akihiko Chiba
Affiliation:
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-0011, Japan
Koji Hagihara
Affiliation:
Department of Adaptive Machine Systems, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871, Japan
Takayoshi Nakano
Affiliation:
Division of Materials and Manufacturing Science, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871, Japan
Koretaka Yuge
Affiliation:
Department of Materials Science and Engineering, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan
Kyosuke Kishida
Affiliation:
Department of Materials Science and Engineering, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan
Haruyuki Inui
Affiliation:
Department of Materials Science and Engineering, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan
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Abstract

We have examined segregation behavior of various alloying elements at lamellar interfaces of C40-NbSi2/C11b-MoSi2 duplex silicide by a phase-field simulation, which takes into account not only bulk chemical free energy but also segregation energy evaluated by the first principles calculation to reflect interaction between solutes and interface. The simulation suggests that segregation behaviors greatly depend on additive elements. In the case of Cr-addition, the C40-phase becomes enriched with Nb and Cr, while the C11b-phase becomes enriched with Mo, which agrees with the equilibrium phase diagram. Slight segregation of Cr atoms is observed at the interface, whereas Nb and Mo concentrations monotonically change across the diffuse interface between C11b and C40 phases. Significant segregations of Zr and Hf are formed at static interfaces, which are attributed to the chemical interaction between solute atoms and the static interface.

Keywords

simulationnanostructureMo
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1516: Symposium JJ – Intermetallic-Based Alloys―Science, Technology and Applications , 2013 , pp. 145 - 150
Copyright
Copyright © Materials Research Society 2013 

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References

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