Scale-Bridging Thermodynamic and Kinetic Simulation (STKS)
An assessment of the entire Al-Fe system including DO3 ordering
B. Sundman, I. Ohnuma, N. Dupin, U. R. Kattner, S. G. Fries.
Acta Materialia, Pergamon-Elsevier Science Ltd, 57, 2896-2908, (2009)
The Al-Fe system is important for many alloys and the new interest in iron aluminides makes it necessary to improve the modeling of the different ordered forms on the body-centered cubic lattice in this system. This has now been done using a four-sublattice model based on the compound energy formalism, which can describe disordered A2 and the B2, D03 and B32 ordering. The chemical and ferromagnetic ordering transitions can be both first and second-order and they have a strong interaction. Almost all available experimental and theoretical data for all phases in the system have been fitted within estimated uncertainties.
Keyword(s): calphad; ordering; compound energy formalism; phase diagram; Al-Fe