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Creation date: 2020-11-24
Creation time: 14-15-38
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article
Perevoshchikova:2011
A convex hull algorithm for minimization of Gibbs energy in two-phase multicomponent alloys
Solid State Phenomena
2011
172-174
Part 1
1214-1219
We have adapted the Quickhull algorithm with the general dimension Beneath-Beyond algorithm <prt>[</prt>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.
Département SI2M : Microstructures et Contraintes
Brechet, Y and Clouet, E and Deschamps, A and Finel, A and Soisson, F
Solid State Phenomena
SOLID-SOLID PHASE TRANSFORMATIONS IN INORGANIC MATERIALS, PTS 1-2
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
1012-0394
10.4028/www.scientific.net/SSP.172-174.1214
BenoitAppolaire
NataliyaPerevoshchikova
JulienTeixeira
SabineDenis