Nature Communications (Aug 2019)

A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter

  • Swastibrata Bhattacharyya,
  • Ryoji Sahara,
  • Kaoru Ohno

DOI
https://doi.org/10.1038/s41467-019-11248-z
Journal volume & issue
Vol. 10, no. 1
pp. 1 – 10

Abstract

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Predicting alloy microstructures with parameter-free theoretical schemes remains a challenge. Here the authors derive a general phase field approach to reproduce the microstructural evolution of a nickel-aluminum alloy as a function of composition only and without empirical thermodynamic parameters.