Diffuse modelling of pearlite growth in Calphad-coupled multicomponent multi-phase-field simulations

Abstract

During cooling of steels and cast irons, austenite can decompose by a eutectoid transformation into pearlite, a two-phased mixture of ferrite and cementite. Since the internal lamellar structure is commonly too fine to be distinguished on the scale of the austenite grain structure, pearlite is often modelled as an effective, pseudo-single phase. Such a pragmatic treatment would also be desirable to reduce the computational effort of large-scale multi-phase-field simulations, but a fundamental hindrance is that no consistent thermodynamic description exists for effective pearlite in multicomponent databases. Alternatively, we here propose to model pearlite as diffuse mixture of two phases with individual local fractions and concentrations, such that solute partitioning and thermodynamic driving forces can be consistently derived from standard Calphad databases. The essential computational advantage is that only the outer interfaces of the pearlite nodules have to be numerically resolved, which allows for increased grid spacing and time-steps. The impact of the unresolved lamellar structure on the curvature undercooling is modelled analytically based on a characteristic spacing, which may be calibrated either experimentally or by small-scale simulations. The potential and the limitations of the new approach, implemented in the frame of the Micress® software, shall be discussed.