| Titre: |
A convex hull algorithm for minimization of Gibbs energy in two-phase multicomponent alloys |
| Auteur(s): |
Benoit Appolaire, Nataliya Perevoshchikova, Julien Teixeira et Sabine Denis |
| Journal: |
Solid State Phenomena |
| Direction: |
Y Brechet, E Clouet, A Deschamps, A Finel et F Soisson |
| Année: |
2011 |
| Titre du livre: |
SOLID-SOLID PHASE TRANSFORMATIONS IN INORGANIC MATERIALS, PTS 1-2 |
| Volume: |
172-174 |
| Issue: |
Part 1 |
| Collection: |
Solid State Phenomena |
| Pages: |
1214-1219 |
| Organisation: |
Mat & Process Sci & Engn Lab; CEA, Tranverse Programme Adv Mat; French Aerospace Lab; Inst Chem, Natl Ctr Sci Res; French Phase Field Network; Lab Etude Microstructures |
| DOI: |
10.4028/www.scientific.net/SSP.172-174.1214 |
| ISSN: |
1012-0394 |
| Résumé: |
We have adapted the Quickhull algorithm with the general dimension Beneath-Beyond algorithm [6] for computing the convex hull of the Gibbs energy hypersurface of multicomponent two-phase alloys. We illustrate the salient features of our method with calculations of isothermal ferrite-austenite equilibria in Fe-C-Cr. Finally, successive equilibrium calculations in a Fe-C-Cr-Mo steel over a large temperature range show the benefit of computing the convex hull before performing the conventional Newton-Raphson search. |
| Projet: |
Département SI2M : Microstructures et Contraintes |
