GEMINI — DiagPlot: 2D & 3D ternary phase diagrams |
| |
Authors: | Bertrand Cheynet Catherine Bonnet Milan Stankov |
| |
Affiliation: | aTHERMODATA - CNRS, 6 rue du tour de l’eau–Saint Martin d’Hères–38400, France |
| |
Abstract: | GEMINI is the Gibbs Energy Minimizer of ThermoSuite, a package of chemoinformatics devoted to thermodynamics. In the last years a special effort was made to develop specific procedures to plot 2D & 3D ternary phase diagrams. The Diphasic Domain Approach Method allows us to plot 2D isobarothermic sections in ternary systems with efficiency and robustness. The technique of regular meshing applied to the extremities of the conodes of a set of such isobarothermic ternary sections allows us to go for a trip in the third dimension, giving a deeper understanding of ternary phase diagrams by adding a visual 3D approach. |
| |
Keywords: | Thermodynamics Calphad Phase diagram 3D Chemoinformatics |
本文献已被 ScienceDirect 等数据库收录! |