Investigation of Spinodal Decomposition in Fe-Cr Alloys: CALPHAD Modeling and Phase Field Simulation
This work is dedicated to simulate the spinodal decomposition of Fe-Cr bcc (body centered cubic) alloys using the phase field method coupled with CALPHAD modeling. Thermodynamic descriptions have been revised after a comprehensive review of information on the Fe-Cr system. The present work demonstrates that it is impossible to reconcile the ab initio enthalpy of mixing at the ground state with the experimental one at 1529 K using the state-of-the-art CALPHAD models. While the phase field simulation results show typical microstructure of spinodal decomposition, large differences have been found on kinetics among experimental results and simulations using different thermodynamic inputs. It was found that magnetism plays a key role on the description of Gibbs energy and mobility which are the inputs to phase field simulation. This work calls for an accurate determination of the atomic mobility data at low temperatures.
Yves Bréchet, Emmanuel Clouet, Alexis Deschamps, Alphonse Finel and Frédéric Soisson
W. Xiong et al., "Investigation of Spinodal Decomposition in Fe-Cr Alloys: CALPHAD Modeling and Phase Field Simulation", Solid State Phenomena, Vols. 172-174, pp. 1060-1065, 2011