Application of Graham scan algorithm in binary phase diagram calculation
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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.
Keywordsbinary system computational studies phase diagram thermodynamic stability
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