A convex polyhedron approach of constructing chemical potential diagrams for multicomponent systems |
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Authors: | Harumi Yokokawa Katsuhiko Yamaji Teruhisa Horita Natsuko Sakai |
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Affiliation: | National Institute of Materials and Chemical Research Tsukuba, Ibaraki 305-8565, Japan |
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Abstract: | A new algorithm for constructing chemical potential diagrams has been developed with the aid of consideration based on computation geometry. Almost all procedures are based on the derivation of the intersection between the polyhedron in n-dimension space and the superplane with (n-1) dimensions. This consists of the geometrical consideration based on the graph theoretical features in terms of vertex, edge, and facet and of the numerical considerations for the beneath-beyond criterion and for obtaining vertices or edges. This generalization makes it easy to treat mixture phases and also to treat phase relations as a function of temperature or pressure. |
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