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Journal of Phase Equilibria and Diffusion

, Volume 27, Issue 2, pp 121–125 | Cite as

Application of Graham scan algorithm in binary phase diagram calculation

  • Shuang-Lin Chen
  • Jie-Yu Zhang
  • Xiong-Gang Lu
  • Kuo-Chih Chou
  • Y. Austin Chang
Section I: Basic and Applied Research

Abstract

Graham scan, a computational geometric algorithm for finding a two-dimensional convex hull, is introduced to calculate binary phase diagrams. This algorithm is modified and applied to find the convex hull of discrete points in the space of Gibbs energy vs mol fraction. The modified Graham scan algorithm has a very low computational cost, which improves efficiency in binary phase diagram calculation.

Keywords

binary system computational studies phase diagram thermodynamic stability 

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Copyright information

© ASM International 2006

Authors and Affiliations

  • Shuang-Lin Chen
    • 1
  • Jie-Yu Zhang
    • 2
  • Xiong-Gang Lu
    • 2
  • Kuo-Chih Chou
    • 2
  • Y. Austin Chang
    • 3
  1. 1.CompuTherm, LLCMadison
  2. 2.School of Materials Science and EngineeringShanghai UniversityShanghaiChina
  3. 3.Department of Materials Science and EngineeringUniversity of Wisconsin-MadisonMadison

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