color fix + int position fix!

diff --git a/posic/publications/emrs2008_full.tex b/posic/publications/emrs2008_full.tex
index 695f9d4..0c2c75a 100644 (file)
--- a/posic/publications/emrs2008_full.tex
+++ b/posic/publications/emrs2008_full.tex
@@ -118,14 +118,14 @@ To exclude surface effects periodic boundary conditions are applied.
 \begin{figure}[!h]
  \begin{center}
  \includegraphics[width=8cm]{unit_cell.eps}
- \caption{Insertion positions for the tetrahedral (${\color{red}\bullet}$), hexagonal (${\color{green}\bullet}$) and <110> dumbbell (${\color{purple}\bullet}$) interstitial configuration.}
+ \caption{Insertion positions for the tetrahedral (${\color{red}\bullet}$), hexagonal (${\color{green}\bullet}$) and <110> dumbbell (${\color{magenta}\bullet}$) interstitial configuration.}
  \end{center}
 \end{figure}
 To investigate the intesrtitial configurations of C and Si in Si, a simulation volume of 9 silicon unit cells in each direction is used.
 The temperature is set to $T=0\, K$.
-The insertion positions are illustrated in Fig 2.
-In separated simulation runs a carbon and a silicon atom respectively is inserted at the tetrahedral $(0,0,0)$ (${\color{red}\bullet}$), hexagonal $(-1/8,-1/8,1/8)$ (${\color{green}\bullet}$), supposed dumbbell $(-1/8,-1/8)$ (${\color{purple}\bullet}$) and at random positions (in units of the silicon lattice constant) where the origin is located in the middle of the unit cell.
-In order to avoid too high kinetic energies in the case of the dumbbell configuration the nearest silicon neighbour atom is shifted to $(-1/4,-1/4,-1/4)$ ($\circ$).
+The insertion positions are illustrated in Fig. 2.
+In separated simulation runs a carbon and a silicon atom respectively is inserted at the tetrahedral $(0,0,0)$ (${\color{red}\bullet}$), hexagonal $(-1/8,-1/8,1/8)$ (${\color{green}\bullet}$), supposed dumbbell $(-1/8,-1/8,-1/4)$ (${\color{magenta}\bullet}$) and at random positions (in units of the silicon lattice constant) where the origin is located in the middle of the unit cell.
+In order to avoid too high kinetic energies in the case of the dumbbell configuration the nearest silicon neighbour atom is shifted to $(-3/8,-3/8,-1/4)$ ($\circ$).
 The introduced kinetic energy is scaled out by a relaxation time of $2\, ps$.
 
 The same volume is used to investigate diffusion.
@@ -164,7 +164,7 @@ This type of configuration is frequently observed for the random insertion runs.
  \caption{Diffusion constants}
  \end{center}
 \end{figure}
-The influence of interstitials on the diffusion of a single carbon atom is displayed in Fig. 4.
+The influence of interstitials on the diffusion of a single carbon atom is displayed in Fig. 3.
 \ldots
 
 
@@ -180,7 +180,7 @@ The influence of interstitials on the diffusion of a single carbon atom is displ
           Carbon atoms are introduced into the whole simulation volume (red), the region which corresponds to the size of a minimal SiC precipitation (green) and the volume which contains the necessary amount of silicon for a minimal precipitation (blue).}
  \end{center}
 \end{figure}
-Fig. 5 shows results of the simulation runs targeting the observation of a precipitation event.
+Fig. 4 shows results of the simulation runs targeting the observation of a precipitation event.
 The C-C pair correlation function suggests carbon nucleation for the simulation runs where carbon was inserted into the two smaller regions.
 The peak at $1.5\, \textrm{\AA}$ fits quite well the next neighbour distance of diamond.
 On the other hand the Si-C pair correlation function indicates formation of SiC bonds with an increased crystallinity for the simulation in which carbon is inserted into the whole simulation volume.