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

被引：0
|
作者：
Perevoshchikova, Nataliya [1 ]
Appolaire, Benoit [2 ]
Teixeira, Julien [1 ]
Denis, Sabine [1 ]
机构：
[1] Ecole Mines, Inst Jean Lamour SI2M, F-54042 Nancy, France
[2] LEM, CNRS, Chatillon, France
来源：
SOLID-SOLID PHASE TRANSFORMATIONS IN INORGANIC MATERIALS, PTS 1-2 | 2011年 / 172-174卷
关键词：
Phase diagrams; Calphad; Gibbs energy minimization; Convex hull; Quickhull;
D O I：
10.4028/www.scientific.net/SSP.172-174.1214
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
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.
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页码：1214 / +
页数：2
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