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.

引用

页码：1214 / +

页数：2

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