Ternary
Ternary is a new free energy visualization tool. Inspired by Craig Carter's Mathematica scripts for binary mixtures, it uses qhull to calculate the convex hull of the free energy curve, and visualizes the result including twophase tie lines and threephase triangles. For multiple phases, such as the situation to the right, visualizing their intersection is tricky, but the principle is the same: the convex hull gives the minimum energy surface.
This consists of two libraries: libfreenergy and libgibbs, two example Ccodes: ternary (output shown) and square, and a graphical user interface (GUI) called Ternary. The libfreenergy library computes free energies and their derivatives, and can be shared with phase field software, which uses free energies as a starting point. The RheoPlast project's ternary CahnHilliard module uses libfreenergy to share free energy functions with Ternary. The libgibbs library includes the rest of the phase diagram isotherm calculation infrastructure.
To build: in the ternary directory, type:
./configure; make
To build the documentation, type:
make stampdoc
Building ternary requires Geomview, Qhull, BLAS and LAPACK. Building the documentation uses Cxref, LaTeX (e.g. TeXLive), and HeVeA and/or LaTeX2HTML. The GUI requires Libglade.
Plans for Ternary
The 2D projection of the convex hull is the phase diagram at a single temperature.
Later versions will:
 Calculate the whole temperaturedependent ternary phase diagram
 Determine phase(s) and phase fractions at a given temperature as a function of composition
From this, one can easily do Scheil simulations and other neat equilibriumrelated calculations.
Other thermodynamics visualization sites
 Kenneth Jolls' website on Gibbs model visualizations
Attachments

ternary0.1.0.tar.gz
(84.0 kB)  added by powell
7 years ago.
First release version 0.1.0 (svn revision 311)

ternary0.2.0.tar.gz
(136.5 kB)  added by powell
7 years ago.
Version 0.2.0 (svn revision 343)

ternary0.3.0.tar.gz
(162.2 kB)  added by powell
7 years ago.
Version 0.3.0 (svn revision 357)

ternary0.4.0.tar.gz
(422.0 kB)  added by powell
5 years ago.
Version 0.4.0 (svn revision 468)

ternary0.5.0.tar.gz
(0.5 MB)  added by powell
5 years ago.
Version 0.5.0 (svn revision 512)

freenergy.png
(324.6 kB)  added by powell
5 years ago.
Free energy function for a solidliquid system, showing the solid spinodal and liquid making a eutectic in a solid binodal, with a threephase region on the left