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Publications: Articles

Article

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

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