From 93d5f82c58eb9461e762cf1ef12a179fe33c24d1 Mon Sep 17 00:00:00 2001
From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Wed, 14 May 2008 13:51:15 +0200
Subject: [PATCH] safety checkin -> mensa

---
 posic/poster/emrs2008.tex | 94 +++++++++++++++++++++++++++++++++++++--
 1 file changed, 91 insertions(+), 3 deletions(-)

diff --git a/posic/poster/emrs2008.tex b/posic/poster/emrs2008.tex
index 5945eac..b033349 100644
--- a/posic/poster/emrs2008.tex
+++ b/posic/poster/emrs2008.tex
@@ -1,5 +1,5 @@
 \documentclass[portrait,a0b,final]{a0poster}
-\usepackage{epsf,psfig,pstricks,multicol,pst-grad,color}
+\usepackage{epsf,psfig,pstricks,multicol,pst-grad,pst-node,color}
 \usepackage{graphicx,amsmath,amssymb}
 \graphicspath{{../img/}}
 \usepackage[english,german]{babel}
@@ -26,7 +26,11 @@
 % Groesse der einzelnen Spalten als Anteil der Gesamt-Textbreite
 \renewcommand{\columnfrac}{.31}
 
+% potential
+\newcommand{\pot}{\mathcal{V}}
+
 % header
+\vspace{-18cm}
 \begin{header}
      \centerline{{\Huge \bfseries Molecular dynamics simulation
                                   of defect formation and precipitation}}
@@ -65,6 +69,7 @@
 
 \begin{poster}
 
+%\vspace{-6cm}
 \begin{pcolumn}
   \begin{pbox}
     \section*{Motivation}
@@ -137,13 +142,96 @@
      [3] J. K. N. Lindner, Appl. Phys. A 77 (2003) 27.
     }
   \end{pbox}
+  \begin{pbox}
+    \section*{Simulation details}
+    {\bf MD basics:}
+    \begin{itemize}
+      \item Microscopic description of N particles
+      \item Analytical interaction potential
+      \item Propagation rule in 6N-dim. phase space:
+            Hamilton's equations of motion
+      \item Observables obtained by time or ensemble averages
+    \end{itemize}
+    {\bf Application details:}\\[0.5cm]
+    \begin{minipage}{17cm}
+    \begin{itemize}
+      \item Integrator: Velocity Verlet, timestep: 1 fs
+      \item Ensemble: isothermal-isobaric NPT [4]
+            \begin{itemize}
+	      \item Berendsen thermostat:
+                    $\tau_{\text{T}}=100\text{ fs}$
+	      \item Brendsen barostat:\\
+                    $\tau_{\text{P}}=100\text{ fs}$,
+		    $\beta^{-1}=100\text{ GPa}$
+            \end{itemize}
+      \item Potential: Tersoff-like bond order potential [5]
+      \[
+      E = \frac{1}{2} \sum_{i \neq j} \pot_{ij}, \quad
+      \pot_{ij} = f_C(r_{ij}) \left[ f_R(r_{ij}) + b_{ij} f_A(r_{ij}) \right]
+      \]
+    \end{itemize}
+    \end{minipage}
+    \begin{minipage}{9cm}
+      \includegraphics[width=9cm]{tersoff_angle.eps}
+    \end{minipage}\\[1cm]
+    {\tiny
+     [4] L. Verlet, Phys. Rev. 159 (1967) 98.}\\
+    {\tiny
+     [5] P. Erhart and K. Albe, Phys. Rev. B 71 (2005) 35211.}
+  \end{pbox}
 
 \end{pcolumn}
 \begin{pcolumn}
 
   \begin{pbox}
-    \section*{Simulation algorithm}
-    Hier die Simulation rein!
+    \section*{Interstitial configurations}
+    {\bf Simulation sequence:}\\
+
+\begin{minipage}{15cm}
+{\small
+ \begin{pspicture}(0,0)(14,14)
+  \rput(7,12.5){\rnode{init}{\psframebox[fillstyle=solid,fillcolor=green]{
+   \parbox{14cm}{
+   \begin{itemize}
+    \item Initial configuration: $9\times9\times9$ unit cells Si
+    \item Periodic boundary conditions
+    \item $T=0\text{ K}$, $p=0\text{ bar}$
+   \end{itemize}
+  }}}}
+\rput(7,6){\rnode{insert}{\psframebox{
+ \parbox{14cm}{
+  Insertion of C / Si atom:
+  \begin{itemize}
+   \item $(0,0,0)$ $\rightarrow$ {\color{red}tetrahedral}
+         (${\color{red}\triangleleft}$)
+   \item $(-1/8,-1/8,1/8)$ $\rightarrow$ {\color{green}hexagonal}
+         (${\color{green}\triangleright}$)
+   \item $(-1/8,-1/8,-1/4)$, $(-3/8,-3/8,-1/4)$\\
+         $\rightarrow$ {\color{magenta}110 dumbbell}
+         (${\color{magenta}\Box}$,$\circ$)
+   \item random positions (critical distance check)
+  \end{itemize}
+  }}}}
+  \rput(7,1.5){\rnode{cool}{\psframebox[fillstyle=solid,fillcolor=cyan]{
+   \parbox{7cm}{
+   Relaxation time: $2\, ps$
+  }}}}
+  \ncline[]{->}{init}{insert}
+  \ncline[]{->}{insert}{cool}
+ \end{pspicture}
+}
+\end{minipage}
+\begin{minipage}{10cm}
+  \includegraphics[width=11cm]{unit_cell_s.eps}
+\end{minipage}
+
+    {\bf Si self-interstitial results:}\\
+
+
+
+    {\bf C in Si interstitial results:}\\
+
+
   \end{pbox}
   \begin{pbox}
     \section*{Results}
-- 
2.20.1