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

Research output: Chapter in Book/Report/Conference proceedingConference contribution

3 Citations (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.

Original languageEnglish
Title of host publicationIntermetallic-Based Alloys - Science, Technology and Applications
Number of pages6
Publication statusPublished - 2013 Oct 1
Event2012 MRS Fall Meeting - Boston, MA, United States
Duration: 2012 Nov 252012 Nov 30

Publication series

NameMaterials Research Society Symposium Proceedings
ISSN (Print)0272-9172


Other2012 MRS Fall Meeting
CountryUnited States
CityBoston, MA

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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