Phase-field simulation of lamellar structure formation in MoSi 2/NbSi2 duplex suicide

Yuichiro Koizumi, Toshihiro Yamazaki, 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 conducted phase-field simulations of microstructural evolution in C11b-MoSi2 / C40-NbSi2 dual phase alloy with and without Cr-addition to examine the factors responsible for the formation and stability of the lamellar structure on the basis of thermodynamics, micromechanics and first-principles calculations. The first principles calculation was used for evaluating the interfacial energy, segregation energy of solute Cr-atoms and lattice parameters of imaginary disilicides for estimating the effects of solute distribution on the lattice misfit. When both of lattice misfit and the anisotropy of interfacial energy is taken into account, a lamellar structure similar to that observed experimentally is formed. In the absence of Cr-addition, the straightness of lamellar structure decreased slightly. When an isotropic interfacial energy is assumed, lamellar structure is not formed. Instead, a microstructure with habit planes parallel to {1 0 1 1} plane of C40-phase is formed. Thus, the anisotropy of interfacial energy is crucial for the lamellar structure formation rather than the elastic energy due to lattice misfit.

Original languageEnglish
Title of host publicationIntermetallic-Based Alloys - Science, Technology and Applications
Number of pages7
Publication statusPublished - 2013
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
Country/TerritoryUnited States
CityBoston, MA

ASJC Scopus subject areas

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


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