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Cr-segregation to a lamellar interface in NbSi2/MoSi2 duplex silicide hasbeen examined by a newly developed phase-field model. The model can take intoaccount the segregation energy evaluated by a first principles calculation toreflect the chemical interaction between solute atoms and the interface inaddition to the elastic interaction. Cr segregation occurs at the interface inthe case with segregation energy whereas no segregation occurs in the case withonly elastic interaction. However, the segregation is much smaller than thatobserved in the experiment when the segregation energy was evaluated by thefirst principles calculation without lattice vibration (i.e. for 0 K). Anothersimulations with the segregation energy with lattice vibration results insegregation comparable to that in the experiment. Thus, it has been revealedthat the solute-interface chemical interaction and its temperature dependenceis responsible for the interfacial segregation of Cr.

Phase-field study on the segregation mechanism of Cr to lamellar interface in C40-NbSi2/C11b-MoSi2 duplex silicide