Thermodynamic description and growth kinetics of stoichiometric precipitates in the phase-field approach

S. Y. Hu, J. Murray, H. Weiland, Z. K. Liu, L. Q. Chen

Research output: Contribution to journalArticlepeer-review

46 Scopus citations

Abstract

In theoretical analyses and computational simulations chemical free energies of stoichiometric compounds and solid solution phases are often approximated by parabolic functions. In the present work, we focus on examining the effect of different approximations of chemical free energies on predicted precipitate growth kinetics with phase-field modelling. As an example, we studied the precipitation of plate-like θ (Al2 Cu) in Al-4 wt%Cu Alloys. Using six sets of chemical free energies for θ and Al-Cu solid solution, growth kinetics of θ precipitates were simulated by assuming either constant diffusivity or constant atomic mobility. It is demonstrated that the parabolic function provides a good description for the chemical free energy of a stoichiometric compound while the growth kinetics is sensitive to the approximation of chemical free energy for the solution phase.

Original languageEnglish (US)
Pages (from-to)303-312
Number of pages10
JournalCalphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume31
Issue number2
DOIs
StatePublished - Jun 2007

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Computer Science Applications

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