Phase-field study on the segregation mechanism of additive elements in NbSi 2 /MoSi 2 duplex suicide

Toshihiro Yamazaki, Yuichiro Koizumi, Akihiko Chiba, Koji Hagihara, Takayoshi Nakano, Koretaka Yuge, Kyosuke Kishida, Haruyuki Inui

研究成果: Conference contribution

3 被引用数 (Scopus)


We have examined segregation behavior of various alloying elements at lamellar interfaces of C40-NbSi 2 /C11 b -MoSi 2 duplex suicide 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 C11 b 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.

ホスト出版物のタイトルIntermetallic-Based Alloys - Science, Technology and Applications
出版ステータスPublished - 2013 10 1
イベント2012 MRS Fall Meeting - Boston, MA, United States
継続期間: 2012 11 252012 11 30


名前Materials Research Society Symposium Proceedings


Other2012 MRS Fall Meeting
国/地域United States
CityBoston, MA

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学


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