drunken!

diff --git a/posic/thesis/md.tex b/posic/thesis/md.tex
index 6d69bc0..96b7cf7 100644 (file)
--- a/posic/thesis/md.tex
+++ b/posic/thesis/md.tex
@@ -570,7 +570,27 @@ As discussed in section \ref{subsection:md:limit} and \ref{subsection:md:inct} a
 A maximum temperature to avoid melting was determined in section \ref{subsection:md:tval}, which is 120 \% of the Si melting point.
 In the following simulations the system volume, the amount of C atoms inserted and the shape of the insertion volume are modified from the values used in the first MD simulations to now match the conditions given in the simulations of the self-constructed precipitate configuration for reasons of comparability.
 To quantify, the initial simulation volume now consists of 21 Si unit cells in each direction and 5500 C atoms are inserted in either the whole volume or in a sphere with a radius of 3 nm.
-Since the investigated temperatures exceed the Si melting point the initial Si bulk material is heated up slowly by $1\,^{\circ}\mathrm{C}/\text{ps}$ starting from $1650\,^{\circ}\mathrm{C}$.
+Since the investigated temperatures exceed the Si melting point the initial Si bulk material is heated up slowly by $1\,^{\circ}\mathrm{C}/\text{ps}$ starting from $1650\,^{\circ}\mathrm{C}$ before the C insertion sequence is started.
+
+\begin{figure}[!ht]
+\begin{center}
+\includegraphics[width=12cm]{fe_100.ps}
+\includegraphics[width=12cm]{q_100.ps}
+\end{center}
+\caption[Evolution of the free energy and quality of a simulation at 100 \% of the Si melting temperature.]{Evolution of the free energy and quality of a simulation at 100 \% of the Si melting temperature. Matt colored parts of the graphs represent the C insertion sequence.}
+\label{fig:md:exceed100}
+\end{figure}
+\begin{figure}[!ht]
+\begin{center}
+\includegraphics[width=12cm]{fe_120.ps}
+\includegraphics[width=12cm]{q_120.ps}
+\end{center}
+\caption[Evolution of the free energy and quality of a simulation at 120 \% of the Si melting temperature.]{Evolution of the free energy and quality of a simulation at 120 \% of the Si melting temperature. Matt colored parts of the graphs represent the C insertion sequence.}
+\label{fig:md:exceed120}
+\end{figure}
+Figure \ref{fig:md:exceed100} and \ref{fig:md:exceed120} show the evolution of the free energy per atom and the quality at 100 \% and 120 \% of the Si melting temperature.
+
+ 
 
 \subsection{Further accelerated dynamics approaches}