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•	Appolaire, Benoit, Perevoshchikova, Nataliya, Teixeira, Julien and Denis, Sabine A convex hull algorithm for minimization of Gibbs energy in two-phase multicomponent alloys Solid State Phenomena, 172-174(Part 1):1214-1219 2011 ISSN: 1012-0394 DOI: 10.4028/www.scientific.net/SSP.172-174.1214 Resume: 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

Articles:

•

Appolaire, Benoit, Perevoshchikova, Nataliya, Teixeira, Julien and Denis, Sabine

A convex hull algorithm for minimization of Gibbs energy in two-phase multicomponent alloys

Solid State Phenomena, 172-174(Part 1):1214-1219

2011

ISSN: 1012-0394

DOI: 10.4028/www.scientific.net/SSP.172-174.1214

Resume: 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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