added flow chart of prec simulation + other misc fixes

diff --git a/posic/talks/dpg_2008.tex b/posic/talks/dpg_2008.tex
index d7e97e8dd4239e1e65459451199119bf71c8ab1b..91e7218f2430694d9aaea202373007f8b28ab9fe 100644 (file)
--- a/posic/talks/dpg_2008.tex
+++ b/posic/talks/dpg_2008.tex
@@ -16,6 +16,9 @@
 \usepackage{fancyvrb}           % Fancy verbatim environments
 \usepackage{pstricks}           % PSTricks with the standard color package
 
+\usepackage{pstricks}
+\usepackage{pst-node}
+
 \usepackage{graphicx}
 \graphicspath{{../img/}}
 
@@ -200,7 +203,7 @@
  \small
  \vspace{6pt}
 
- Supposed mechanism of the conversion of heavily carbon doped Si into SiC:
+ Supposed conversion mechanism of heavily carbon doped Si into SiC:
 
  \vspace{8pt}
 
@@ -322,32 +325,96 @@
  \small
 
  SiC precipitation experiments:
- \begin{itemize}
-  \item Initial configuration: $31\times31\times31$ unit cells Si
-  \item Periodic boundary conditions
-  \item $T=450\, ^{\circ}C$
-  \item Steady state time: $600\, fs$
-  \item C insertion steps:
-        \begin{itemize}
-        \item If $T=450\pm 1\, ^{\circ}C$:\\
-              Insertion of 10 atoms at random positions within $V_{ins}$
-        \item Otherwise: Annealing for another $100\, fs$
-       \end{itemize}
-  \item Annealing: ($T_a: 450\rightarrow 20 \, ^{\circ}C$)
-        \begin{itemize}
-        \item If $T=T_a$: Decrease $T_a$ by $1\, ^{\circ}C$
-        \item Otherwise: Annealing for another $50\, fs$
-       \end{itemize}
- \end{itemize}
 
- Szenarios:
- \begin{enumerate}
-  \item $V_{ins}$: total simulation volume $V$
-  \item $V_{ins}$: $12\times12\times12$ SiC unit cells
-                   ($\sim$ volume of minimal SiC precipitation)
-  \item $V_{ins}$: $9\times9\times9$ SiC unit cells
-                   ($\sim$ volume of necessary amount of Si)
- \end{enumerate}
+ \begin{pspicture}(0,0)(12,8)
+  % nodes
+  \rput(4.5,6.5){\rnode{init}{\psframebox{\parbox{7cm}{
+   \begin{itemize}
+    \item Initial configuration: $31\times31\times31$ unit cells Si
+    \item Periodic boundary conditions
+    \item $T=450\, ^{\circ}C$
+    \item Equilibration of $E_{kin}$ and $E_{pot}$ for $600\, fs$
+   \end{itemize}
+  }}}}
+  \rput(4.5,4.5){\rnode{tc1}{\psframebox[fillstyle=solid,fillcolor=red]{
+                             $T=450\pm 1\, ^{\circ}C$}}}
+  \rput(7,3.5){\rnode{insert}{\psframebox[fillstyle=solid,fillcolor=red]{
+                              \parbox{3cm}{
+                              Insertion of 10 atoms\\
+                              at random positions}}}}
+  \rput(2,3.5){\rnode{adj1}{\psframebox[fillstyle=solid,fillcolor=red]{
+                            \parbox{3.5cm}{
+                            Adjusting temperature\\
+                            for another $100\, fs$}}}}
+  \rput(7,2.5){\rnode{nc}{\psframebox[fillstyle=solid,fillcolor=red]{
+                          $N_{atoms}=6000$}}}
+  \rput(4.5,2){\rnode{tc2}{\psframebox[fillstyle=solid,fillcolor=cyan]{
+                           $T=T_{set}$}}}
+  \rput(7,1){\rnode{td}{\psframebox[fillstyle=solid,fillcolor=cyan]{
+                        $T_{set}:=T_{set}-1\, ^{\circ}C$}}}
+  \rput(2,1){\rnode{adj2}{\psframebox[fillstyle=solid,fillcolor=cyan]{
+                          \parbox{3.5cm}{
+                          Adjusting temperature\\
+                          for another $50\, fs$}}}}
+  \rput(7,0){\rnode{tc3}{\psframebox[fillstyle=solid,fillcolor=cyan]{
+                         $T_{set}=20\, ^{\circ}C$}}}
+  \rput(10,0){\rnode{end}{\psframebox{End}}}
+  % help nodes
+  \rput(7,4.5){\pnode{tc1-h}}
+  \rput(2,4.5){\pnode{tc1-hh}}
+  \rput(4.5,2.5){\pnode{nc-h}}
+  \rput(9,2.5){\pnode{nc-hh}}
+  \rput(9,2){\pnode{tc2-h}}
+  \rput(2,2){\pnode{tc2-hh}}
+  \rput(4.5,0){\pnode{tc3-h}}
+  % direct lines
+  \ncline[]{->}{init}{tc1}
+  \ncline[]{->}{adj1}{tc1}
+  \ncline[]{->}{insert}{nc}
+  \ncline[]{->}{adj2}{tc2}
+  \ncline[]{->}{tc2}{td}
+  \lput*{0}{yes}
+  \ncline[]{->}{td}{tc3}
+  \ncline[]{->}{tc3}{end}
+  \lput*{0}{yes}
+  % lines using help nodes
+  \ncline[]{tc1}{tc1-h}
+  \lput*{0}{yes}
+  \ncline[]{->}{tc1-h}{insert}
+  \ncline[]{tc1}{tc1-hh}
+  \lput*{0}{no}
+  \ncline[]{->}{tc1-hh}{adj1}
+  \ncline[]{nc}{nc-h}
+  \lput*{0}{no}
+  \ncline[]{->}{nc-h}{tc1}
+  \ncline[]{nc}{nc-hh}
+  \ncline[]{-}{nc-hh}{tc2-h}
+  \ncline[]{->}{tc2-h}{tc2}
+  \lput*{0}{yes, {\footnotesize $T_{set}:=450\, ^{\circ}C$}}
+  \ncline[]{tc2}{tc2-hh}
+  \lput*{0}{no}
+  \ncline[]{->}{tc2-hh}{adj2}
+  \ncline[]{tc3}{tc3-h}
+  \lput*{0}{no}
+  \ncline[]{->}{tc3-h}{tc2}
+  % insertion volumes
+  \psframe[fillstyle=solid,fillcolor=white](9.5,1.3)(13.5,5.3)
+  \psframe[fillstyle=solid,fillcolor=lightgray](10,1.8)(13,4.8)
+  \psframe[fillstyle=solid,fillcolor=gray](10.5,2.3)(12.5,4.3)
+  \rput(9.75,3){\pnode{ins1}}
+  \rput(10.25,3.3){\pnode{ins2}}
+  \rput(10.75,3.6){\pnode{ins3}}
+  \ncline[]{-}{insert}{ins1}
+  \ncline[]{-}{insert}{ins2}
+  \ncline[]{-}{insert}{ins3}
+  \psframe[fillstyle=solid,fillcolor=white](9.5,7.6)(13.5,8.1)
+  \psframe[fillstyle=solid,fillcolor=lightgray](9.5,6.8)(13.5,7.3)
+  \psframe[fillstyle=solid,fillcolor=gray](9.5,6)(13.5,6.5)
+  \rput(11.5,7.85){{\tiny Simulation volume:
+                          $31\times31\times31\, a^3_{Si}$}}
+  \rput(11.5,7.05){{\tiny Volume of minimal SiC precipitation}}
+  \rput(11.5,6.25){{\tiny Volume of necessary amount of Si}}
+ \end{pspicture}
 
 \end{slide}
 
@@ -374,7 +441,7 @@
  \begin{minipage}[t]{4.0cm}
  \underline{Tetrahedral}
  \begin{itemize}
-  \item $E_F=3.41\, eV$
+  \item $E_f=3.41\, eV$
   \item essentialy tetrahedral\\
         bonds
  \end{itemize}
@@ -383,7 +450,7 @@
  \begin{minipage}[t]{4.0cm}
  \underline{110 dumbbell}
  \begin{itemize}
-  \item $E_F=4.39\, eV$
+  \item $E_f=4.39\, eV$
   \item essentially 4 bonds
  \end{itemize}
  \end{minipage}
@@ -391,7 +458,7 @@
  \begin{minipage}[t]{4.0cm}
  \underline{Hexagonal}
  \begin{itemize}
-  \item $E_F^{\star}\approx4.48\, eV$
+  \item $E_f^{\star}\approx4.48\, eV$
   \item unstable!
  \end{itemize}
  \end{minipage}