A phase-field method coupled with CALPHAD for the simulation of ordered κ-carbide precipitates in both disordered γ and α phases in low density steel

Aireza Rahnama, Richard Dashwood, Seetharaman Sridhar

Research output: Contribution to journalArticlepeer-review

16 Scopus citations

Abstract

In order to simulate multi-component diffusion controlled precipitation of ordered phases in low density steels using the phase-field method, the Gibbs free energy of the γ,α and κ phases in the quaternary Fe-Mn-Al-C system was linked to the CALPHAD method using a three-sublattice model which is based on the accumulation of considerable thermodynamic data in multi-component systems and the assurance of continuous variation of the interface area. This model includes the coherent precipitation of κ phase from a disordered FCC γ phase and semi-coherent precipitation of the same κ phase from a disordered BCC α structure. The microstructure evolution of κ-carbide was simulated with three-dimensional phase-field model. The simulation was first performed for a single particle in both γ and α phases to investigate the evolution of interfacial and elastic strain energy during the precipitation process. The simulation results show that κ has a cuboidal morphology in γ and elongated plate-like morphology in α which is in agreement with the morphologies reported in the literature. The multi-particle simulations were also performed for the precipitation of κ phase from both disordered γ and α. The results also demonstrate that the size of κ precipitates in γ is remarkably smaller than that in α phase.

Original languageEnglish (US)
Pages (from-to)152-159
Number of pages8
JournalComputational Materials Science
Volume126
DOIs
StatePublished - Jan 1 2017
Externally publishedYes

Keywords

  • CALPHAD
  • Low density steel
  • Phase-field
  • κ-Carbide

ASJC Scopus subject areas

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

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