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Journal of Phase Equilibria

, Volume 13, Issue 4, pp 365–372 | Cite as

Computer generation of binary and ternary phase diagrams via a convex hull method

  • D. D. Lee
  • J. H. Choy
  • J. K. Lee
Section I: Basic and Applied Research

Abstract

A rapid computational technique for determining equilibrium phase diagrams of multicomponent systems by constructing the convex hull of the free energy surface is introduced. Rather than calculating tangent lines or planes, this method guarantees a convex representation of the equilibrium free energy surface on a discrete set of points in composition space. Although the accuracy of these phase diagrams is limited by the spacing of points, there are no restrictions on the number or types of free energy functions that may be considered; functions with singular or unknown derivatives may even be used. This method is then applied to generate several model binary and ternary phase diagrams.

Keywords

Free Energy Free Energy Surface Ternary Phase Diagram Free Energy Function Free Energy Curve 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© ASM International 1992

Authors and Affiliations

  • D. D. Lee
    • 1
  • J. H. Choy
    • 2
  • J. K. Lee
    • 2
  1. 1.Dept. of PhysicsMassachusetts Institute of TechnologyCambridge
  2. 2.Dept. of Metallurgical and Materials EngineeringMichigan Technological UniversityHoughton

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