Investigation of Spinodal Decomposition in Fe-Cr Alloys: CALPHAD Modeling and Phase Field Simulation
2011 (English)In: Solid State Phenomena, ISSN 1012-0394, Vol. 172-174, 1060-1065 p.Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
Switzerland: Trans Tech Publications , 2011. Vol. 172-174, 1060-1065 p.
magnetic transition, ab initio, enthalpy of mixing, atomic mobility, Cahn-Hilliard equation
Metallurgy and Metallic Materials
IdentifiersURN: urn:nbn:se:kth:diva-49606DOI: 10.4028/www.scientific.net/SSP.172-174.1060ISI: 000303359700164ScopusID: 2-s2.0-79960921235OAI: oai:DiVA.org:kth-49606DiVA: diva2:459877
QC 201112082011-12-082011-11-282012-08-30Bibliographically approved