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Article

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

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