| Titre: |
A convex hull algorithm for minimization of Gibbs energy in two-phase multicomponent alloys |
| Auteurs: |
Appolaire, Benoit, Perevoshchikova, Nataliya, Teixeira, Julien and Denis, Sabine |
| Journal: |
Solid State Phenomena |
| Editor: |
Brechet, Y and Clouet, E and Deschamps, A and Finel, A and Soisson, F |
| Annee: |
2011 |
| Book title: |
SOLID-SOLID PHASE TRANSFORMATIONS IN INORGANIC MATERIALS, PTS 1-2 |
| Volume: |
172-174 |
| olabel_issue: |
Part 1 |
| Series: |
Solid State Phenomena |
| Pages: |
1214-1219 |
| Organization: |
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 |
| Abstract: |
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. |
| Equipe: |
Département SI2M : Microstructures et Contraintes |
