Temperature-based energy solver coupled with tabulated thermodynamic properties – Application to the prediction of macrosegregation in multicomponent alloys

Abstract : We present a new algorithm for solving energy balance in phase change problems, particularly in solidification with macrosegregation. The algorithm is based on a nonlinear temperature evaluation using the average enthalpy which is provided by (i) tabulated phase transformation paths and (ii) tabulated phase properties. The compatibility of this method with tabulations using a thermodynamic database, allows simulating solidification at equilibrium with multiple phase transformations for binary and multicomponent alloys. The method has been validated and applied to three-dimensional cases with macrosegregation: a binary Sn–3 wt.% Pb alloy and a ternary Fe–2 wt.% C–30 wt.% Cr alloy. For the latter case, predictions include composition maps for C and Cr due to thermosolutal instability leading to freckle formation and the subsequent distributions of liquid, BCC, FCC, M7C3 and Cementite phases. Compared with a previously published enthalpy method, the temperature-based energy solver shows similar accuracy and faster computational time.
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Ali Saad, Charles-André Gandin, Michel Bellet. Temperature-based energy solver coupled with tabulated thermodynamic properties – Application to the prediction of macrosegregation in multicomponent alloys. Computational Materials Science, Elsevier, 2015, 99, pp.221-231. ⟨10.1016/j.commatsci.2014.12.009⟩. ⟨hal-01111022⟩

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