A Convex Hull Algorithm for Minimization of Gibbs Energy in Two-Phase Multicomponent Alloys

Nataliya Perevoshchikova; Benoît Appolaire; Julien Teixeira; Sabine Denis

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

Paper Titles

A Simple Model of Dissipative Processes in Ferroelastics
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Modeling of Growth and Formation of Pearlite Colonies for Simple Models of Alloys Iron-Carbon
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Analytical Modeling of Austenite Growth and Phase Evolution during Reverse Transformation from Pearlite in High Carbon Steels
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Kinetics of the Austenite-Ferrite Transformation with and without Applied Stress
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A Convex Hull Algorithm for Minimization of Gibbs Energy in Two-Phase Multicomponent Alloys
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An Equation of State of Amorphous β-Boron under High Pressure.
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Simulation of Atomic Structure and Diffusion Characteristics of Point Defects in BCC and FCC Metals
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Micromechanical Modelling of Microtexture Formation in Low Alloy Steel Bainite
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Atomic Density Function Simulations of Crystal Growth Kinetics of FCC Crystal and BCC-FCC Transition
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HomeSolid State PhenomenaSolid State Phenomena Vols. 172-174A Convex Hull Algorithm for Minimization of Gibbs...

A Convex Hull Algorithm for Minimization of Gibbs Energy in Two-Phase Multicomponent Alloys

Abstract:

We have adapted the Quickhull algorithm with the general dimension Beneath-Beyondalgorithm [6] for computing the convex hull of the Gibbs energy hypersurface of multicomponenttwo-phase alloys. We illustrate the salient features of our method with calculations of isothermalferrite-austenite equilibria in Fe-C-Cr. Finally, successive equilibrium calculations in a Fe-C-Cr-Mosteel over a large temperature range show the beneﬁt of computing the convex hull before performingthe conventional Newton-Raphson search.