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Application of Graham scan algorithm in binary phase diagram calculation

  • Section I: Basic and Applied Research
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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.

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Authors and Affiliations

  1. CompuTherm, LLC, 437 S. Yellowstone Dr., 53719, Madison, WI

    Shuang-Lin Chen

  2. School of Materials Science and Engineering, Shanghai University, 200072, Shanghai, China

    Jie-Yu Zhang, Xiong-Gang Lu & Kuo-Chih Chou

  3. Department of Materials Science and Engineering, University of Wisconsin-Madison, 1509 University Ave., 53706, Madison, WI

    Y. Austin Chang

Authors
  1. Shuang-Lin Chen
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  2. Jie-Yu Zhang
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  3. Xiong-Gang Lu
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  4. Kuo-Chih Chou
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  5. Y. Austin Chang
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Chen, SL., Zhang, JY., Lu, XG. et al. Application of Graham scan algorithm in binary phase diagram calculation. J Phs Eqil and Diff 27, 121–125 (2006). https://doi.org/10.1007/s11669-006-0034-y

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  • DOI: https://doi.org/10.1007/s11669-006-0034-y

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