Changeset 348

Timestamp:

03/27/08 09:20:28 (8 months ago)

Author:

powell

Message:

Add free energy derivatives to ternary_point structure

Files:

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

trunk/matml/src/ternary/ternary.h

@@ -12 +12 @@
 
 typedef struct {
-  double C2;     /*+ Ternary concentration variable 2
-                   +latex+($0\rightarrow1$)
-                   -latex-(0 -> 1)
+  double C2;     /*+ Ternary concentration variable
+                   +latex+$C_2$ ($0\rightarrow1$)
+                   -latex-2 (0 -> 1)
                    +*/
-  double C3;     /*+ Ternary concentration variable 3
-                   +latex+($0\rightarrow1-C_2$)
-                   -latex-(0 -> 1-C2)
+  double C3;     /*+ Ternary concentration variable
+                   +latex+$C_3$ ($0\rightarrow1-C_2$)
+                   -latex-3 (0 -> 1-C2)
                    +*/
   double G;      /*+ Free energy +*/
+  double G2;     /*+ Free energy derivative
+                   +latex+$\partial G/\partial C_2$
+                   -latex-dG/dC2
+                   +*/
+  double G3;     /*+ Free energy derivative
+                   +latex+$\partial G/\partial C_3$
+                   -latex-dG/dC3
+                   +*/
+  double G22;    /*+ Free energy second derivative
+                   +latex+$\partial^2 G/\partial C_2^2$
+                   +html+ d<sup>2</sup>G/dC2<sup>2</sup>
+                   +*/
+  double G33;    /*+ Free energy second derivative
+                   +latex+$\partial^2 G/\partial C_3^2$
+                   +html+ d<sup>2</sup>G/dC3<sup>2</sup>
+                   +*/
+  double G23;    /*+ Free energy mixed partial second derivative
+                   +latex+$\partial^2 G/\partial C_2\partial C_3$
+                   +html+ d<sup>2</sup>G/dC2dC3
+                   +*/
   double x;      /*+ Visualization
                    +latex+$x$-coordinate ($0\rightarrow1$)
                    -latex-x-coordinate (0 -> 1)
                    +*/
-  double y;      /*+ Visualization y-coordinate (transformed free energy) +*/
-  double z;      /*+ Visualization z-coordinate
-                   +latex+($0\rightarrow\sqrt{3}/2$)
-                   -latex-(0 -> sqrt(3)/2) +*/
+  double y;      /*+ Visualization
+                   +latex+$y$-coordinate
+                   -latex-y-coordinate
+                   (scaled free energy) +*/
+  double z;      /*+ Visualization
+                   +latex+$z$-coordinate ($0\rightarrow\sqrt{3}/2$)
+                   -latex-z-coordinate (0 -> sqrt(3)/2) +*/
   double red;    /*+ Visualization color red value
                    +latex+($0\rightarrow1$)