Development of metallic glasses by semi-empirical calculation method

Akira Takeuchi, Akihisa Inoue

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


Calculation methods for deriving the optimal alloy systems and compositions for the formation of bulk metallic glasses (BMGs) have been proposed by referring to the criteria for the achievement of high glass-forming ability which is proposed by Inoue et al. in the early 1990s. By using the Miedema's model, 2123 ternary systems are found to satisfy the criteria simultaneously, the rate of which is 3.4 % of the statistical population of 62196 ternary systems. The mismatch entropy normalized by Boltzmann constant (Sσk B) and mixing enthalpy (ΔHchem), which correspond to the criteria in terms of effects of atomic size differences and the heat of mixing, are calculated for the ternary amorphous alloys. The values of Sσ/kB and ΔHchem of the typical BMGs tend to be plotted densely in the Sσ/kB-ΔHchem chart. This tendency is of great importance for deriving the compositions of BMGs.

Original languageEnglish
Pages (from-to)283-286
Number of pages4
JournalJournal of Metastable and Nanocrystalline Materials
Publication statusPublished - 2005


  • Computational method
  • Database
  • Glass-forming ability
  • Mapping
  • Metallic glass

ASJC Scopus subject areas

  • Materials Science (miscellaneous)
  • Materials Science(all)
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry


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