Changeset 428

Timestamp:

02/23/2009 08:30:33 PM (3 years ago)

Author:

powell

Message:

Documentation changes/clarification.

Files:

• trunk/matml/src/ternary/ternary.tex.in (modified) (1 diff)

trunk/matml/src/ternary/ternary.tex.in

@@ -40 +40 @@
 
 {\tt Ternary} is nearly complete, with the one un-implemented feature being to
-build and neatly visualize how free energy functions create a ternary phase
-diagram.
+build and neatly visualize how free energy functions create a full
+temperature-composition ternary phase diagram.  It would also be nice to have
+these functions in a library, so other programs could call them.
 
 \section{How it works}
 
 The file {\tt ternary.c} (documentation in appendix \ref{file_ternary.c})
-contains {\tt main()}, which calls functions in {\tt book.c} (appendix
-\ref{file_book.c}) to create a triangular array of points and set of triangles
-connecting them.  It calls {\tt free\_energies()} in {\tt freenergy.c}
-(appendix \ref{file_freenergy.c}) to calculate the free energy function on
-those triangles.  It then displays the free energy using the functions in {\tt
-  geomview.c} (appendix \ref{file_geomview.c}), which forks and controls a
-Geomview process.
+contains {\tt main()}, which is a simple demonstration of the ternary
+calculation and visualization functions.  It does the following:
+\begin{itemize}
+\item Calls functions in {\tt book.c} (appendix \ref{file_book.c}) to create a
+  triangular array of points and set of triangles connecting them.
+\item Calculates the free energy function on the triangle verticies using
+  {\tt free\_energies()} in {\tt freenergy.c} (appendix
+  \ref{file_freenergy.c}).
+\item Displays the free energy using the functions in {\tt geomview.c}
+  (appendix \ref{file_geomview.c}), which forks and controls a Geomview
+  process.
+\item Calculates the spinodal of this free energy function using {\tt
+    calc\_spinodal} in {\tt spinodal.c} (appendix \ref{file_spinodal.c}), and
+  displays it on the free energy function.
+\item Uses Qhull calls in {\tt qhull.c} (appendix \ref{file_qhull.c}) to
+  calculate the convex hull of the free energy function.
+\item Refines the multi-phase triangles using Newton iteration ({\tt
+    hullRefine} in {\tt qhull.c}) to find the lowest-energy point starting at
+  each corner, smoothing the phase boundaries considerably.
+\item Adds the two-phase region facet outlines to the Geomview display.
+\end{itemize}
 
-It then calculates the spinodal of this free energy function using {\tt
-  calc\_spinodal} (appendix \ref{file_spinodal.c}), and displays it on the free
-energy function.
-
-Next it uses Qhull calls in {\tt qhull.c} (appendix \ref{file_qhull.c}) to
-calculate the convex hull of the free energy function.  It refines the
-multi-phase triangles using Newton iteration to find the lowest-energy point
-starting at each corner.  And it optionally refines the one-phase triangles at
-their centroids.
-
-Finally, it strips out the triangles which are in the single-phase region,
-leaving two- and three-phase regions with tie lines.  It displays the remaining
-facets using transparent triangles with black edges, which clearly show the tie
-lines in the two-phase regions.
-
-For more than one free energy function, it creates a double-size array with two
-sets of points, and two sets of triangle indices connecting them.  The rest of
-this procedure is pretty much the same.
+For more than one free energy function (as implemented in {\tt ternary.c}), it
+creates a double-size array with two sets of points, and two sets of triangle
+indices connecting them.  The rest of this procedure is pretty much the same.
 
 \section{Version History}