From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Thu, 21 Feb 2008 06:53:59 +0000 (+0100)
Subject: interstitial explanation
X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=9403b1c7ab60b35d55811fc1f79e005db07f508f;p=lectures%2Flatex.git

interstitial explanation
---

diff --git a/posic/talks/dpg_2008.tex b/posic/talks/dpg_2008.tex
index de7bc05..35ba588 100644
--- a/posic/talks/dpg_2008.tex
+++ b/posic/talks/dpg_2008.tex
@@ -240,7 +240,7 @@
  Application details:
  \begin{itemize}
   \item Integrator: Velocity Verlet, timestep: $1\, fs$
-  \item Ensemble control: NVT, Berendsen thermostat, $\tau=100.0$
+  \item Ensemble: NVT, Berendsen thermostat, $\tau=100.0$
   \item Potential: Tersoff-like bond order potential\\
         \[
 	E = \frac{1}{2} \sum_{i \neq j} \pot_{ij}, \quad
@@ -263,27 +263,39 @@
   Simulation details
  }
 
- \vspace{20pt}
+ \vspace{8pt}
 
  Interstitial experiments:
 
- \vspace{12pt}
+ \vspace{8pt}
 
- \begin{itemize}
-  \item Initial configuration: $9\times9\times9$ unit cells Si
-  \item Periodic boundary conditions
-  \item $T=0 \, K$
-  \item Insertion of Si / C atom at
-        \begin{itemize}
-         \item $(0,0,0)$ $\rightarrow$ {\color{red}tetrahedral}
-         \item $(-1/8,-1/8,1/8)$ $\rightarrow$ {\color{green}hexagonal}
-         \item $(-1/8,-1/8,-1/4)$, $(-1/4,-1/4,-1/4)$\\
-	       $\rightarrow$ {\color{magenta}110 dumbbell}
-	 \item random positions (critical distance check)
-	\end{itemize}
-  \item Relaxation time: $2\, ps$
-  \item Optional heating-up 
- \end{itemize}
+ \begin{pspicture}(0,0)(7,8)
+  \rput(3.5,7){\rnode{init}{\psframebox[fillstyle=solid,fillcolor=green]{
+   \parbox{7cm}{
+   \begin{itemize}
+    \item Initial configuration: $9\times9\times9$ unit cells Si
+    \item Periodic boundary conditions
+    \item $T=0 \, K$
+   \end{itemize}
+  }}}}
+\rput(3.5,3.5){\rnode{insert}{\psframebox{
+ \parbox{7cm}{
+  Insertion of C / Si atom:
+  \begin{itemize}
+   \item $(0,0,0)$ $\rightarrow$ {\color{red}tetrahedral}
+   \item $(-1/8,-1/8,1/8)$ $\rightarrow$ {\color{green}hexagonal}
+   \item $(-1/8,-1/8,-1/4)$, $(-1/4,-1/4,-1/4)$\\
+         $\rightarrow$ {\color{magenta}110 dumbbell}
+   \item random positions (critical distance check)
+  \end{itemize}
+  }}}}
+  \rput(3.5,1){\rnode{cool}{\psframebox[fillstyle=solid,fillcolor=cyan]{
+   \parbox{3.5cm}{
+   Relaxation time: $2\, ps$
+  }}}}
+  \ncline[]{->}{init}{insert}
+  \ncline[]{->}{insert}{cool}
+ \end{pspicture}
 
  \begin{picture}(0,0)(-210,-45)
   \includegraphics[width=6cm]{unit_cell.eps}