Thermodynamic calculation of phase diagram and phase stability with nano-size particles

Jun Liu Xing, Ping Wang Cui, Jian Zhong Jiang, Ikuo Ohnuma, Ryosuke Kainuma, Kiyohito Ishida

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)


In the present paper, the surface tensions and interfacial energies for pure metals and alloys for different structures were predicted by combining with the evaluated thermodynamic parameters in the framework of the CALPHAD (Calculation of Phase Diagrams) method. It is shown that the calculated results are in good agreement with the existing experimental data. On the basis of the predicted values of surface tension and interfacial energy, the phase stability and phase diagram with nano-size particles can be calculated by considering the Gibbs-Thomson equation. The calculated results for pure Fe indicate that the fee phase is more stable with the decreasing of size of particles, which is in agreement with the experimental data reported, and the phase diagram with nano-size particle can be calculated.

Original languageEnglish
Pages (from-to)2645-2650
Number of pages6
JournalInternational Journal of Modern Physics B
Issue number15-17
Publication statusPublished - 2005 Jul 10


  • Gibbs-Thomson equation
  • Interfacial energy
  • Phase equilibria
  • Surface tension


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