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diff --git a/posic/talks/helsinki_2008.tex b/posic/talks/helsinki_2008.tex
index 5a5ceda7ebdd06bec6f38267f12b8a0541e4f12d..8a3174e66aa42b1b7ecb8e02a582673fbd6216c5 100644 (file)
--- a/posic/talks/helsinki_2008.tex
+++ b/posic/talks/helsinki_2008.tex
@@ -170,6 +170,8 @@
   Crystalline silicon and cubic silicon carbide
  }
 
+ \vspace{8pt}
+
  {\bf Lattice types and unit cells:}
  \begin{itemize}
    \item Crystalline silicon (c-Si) has diamond structure\\
@@ -179,6 +181,7 @@
          $\Rightarrow {\color{si-yellow}\bullet}$ are Si atoms,
          ${\color{gray}\bullet}$ are C atoms
  \end{itemize}
+ \vspace{8pt}
  \begin{minipage}{8cm}
  {\bf Lattice constants:}
  \[
@@ -237,11 +240,18 @@
 
  \vspace{12pt}
 
- Experimentally observed:
+ \begin{minipage}{7cm}
+ Experimentally observed [3]:
  \begin{itemize}
   \item Minimal diameter of precipitation: 4 - 5 nm
   \item Equal orientation of Si and SiC (hkl)-planes
  \end{itemize}
+ \end{minipage}
+ \begin{minipage}{6cm}
+ \vspace{32pt}
+ \hspace{16pt}
+  {\tiny [3] J. K. N. Lindner, Appl. Phys. A 77 (2003) 27.}
+ \end{minipage}
 
 \end{slide}
 
@@ -251,32 +261,37 @@
   Simulation details
  }
 
- \vspace{12pt}
+ \small
 
- MD basics:
+ {\bf MD basics:}
  \begin{itemize}
   \item Microscopic description of N particle system
   \item Analytical interaction potential
   \item Hamilton's equations of motion as propagation rule\\
         in 6N-dimensional phase space
-  \item Observables obtained by time average
+  \item Observables obtained by time or ensemble averages
  \end{itemize}
-
- \vspace{12pt}
-
- Application details:
+ {\bf Application details:}
  \begin{itemize}
-  \item Integrator: Velocity Verlet, timestep: $1\, fs$
-  \item Ensemble: NVT, Berendsen thermostat, $\tau=100.0$
-  \item Potential: Tersoff-like bond order potential\\
+  \item Integrator: Velocity Verlet, timestep: $1\text{ fs}$
+  \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]
         \[
        E = \frac{1}{2} \sum_{i \neq j} \pot_{ij}, \quad
        \pot_{ij} = f_C(r_{ij}) \left[ f_R(r_{ij}) + b_{ij} f_A(r_{ij}) \right]
        \]
-       \begin{center}
-        {\scriptsize P. Erhart and K. Albe. Phys. Rev. B 71 (2005) 035211}
-       \end{center}
  \end{itemize}
+ {\tiny
+  [4] L. Verlet, Phys. Rev. 159 (1967) 98.}\\
+ {\tiny
+  [5] P. Erhart and K. Albe, Phys. Rev. B 71 (2005) 35211.}
 
  \begin{picture}(0,0)(-240,-70)
   \includegraphics[width=5cm]{tersoff_angle.eps} 
@@ -287,22 +302,22 @@
 \begin{slide}
 
  {\large\bf
-  Simulation details
+  Simulation sequence
  }
 
  \vspace{8pt}
 
- Interstitial simulations:
+ Interstitial configurations:
 
  \vspace{8pt}
 
  \begin{pspicture}(0,0)(7,8)
-  \rput(3.5,7){\rnode{init}{\psframebox[fillstyle=solid,fillcolor=green]{
+  \rput(3.5,7){\rnode{init}{\psframebox[fillstyle=solid,fillcolor=hb]{
    \parbox{7cm}{
    \begin{itemize}
     \item Initial configuration: $9\times9\times9$ unit cells Si
     \item Periodic boundary conditions
-    \item $T=0 \, K$
+    \item $T=0\text{ K}$, $p=0\text{ bar}$
    \end{itemize}
   }}}}
 \rput(3.5,3.5){\rnode{insert}{\psframebox{
@@ -310,13 +325,16 @@
   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 $(-1/8,-1/8,-1/4)$, $(-1/4,-1/4,-1/4)$\\
          $\rightarrow$ {\color{magenta}110 dumbbell}
+        (${\color{magenta}\Box}$,$\circ$)
    \item random positions (critical distance check)
   \end{itemize}
   }}}}
-  \rput(3.5,1){\rnode{cool}{\psframebox[fillstyle=solid,fillcolor=cyan]{
+  \rput(3.5,1){\rnode{cool}{\psframebox[fillstyle=solid,fillcolor=lbb]{
    \parbox{3.5cm}{
    Relaxation time: $2\, ps$
   }}}}
@@ -325,7 +343,7 @@
  \end{pspicture}
 
  \begin{picture}(0,0)(-210,-45)
-  \includegraphics[width=6cm]{unit_cell.eps}
+  \includegraphics[width=6cm]{unit_cell_s.eps}
  \end{picture}
 
 \end{slide}
@@ -426,7 +444,7 @@
 \begin{slide}
 
  {\large\bf
-  Simulation details
+  Simulation sequence
  }
 
  \small
@@ -439,18 +457,18 @@
 
  \begin{pspicture}(0,0)(12,8)
   % nodes
-  \rput(3.5,6.5){\rnode{init}{\psframebox[fillstyle=solid,fillcolor=green]{
+  \rput(3.5,6.5){\rnode{init}{\psframebox[fillstyle=solid,fillcolor=hb]{
    \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 $600\, fs$
+    \item $T=450\, ^{\circ}\text{C}$, $p=0\text{ bar}$
+    \item Equilibration of $E_{kin}$ and $E_{pot}$
    \end{itemize}
   }}}}
-  \rput(3.5,3.2){\rnode{insert}{\psframebox[fillstyle=solid,fillcolor=red]{
+  \rput(3.5,3.2){\rnode{insert}{\psframebox[fillstyle=solid,fillcolor=lachs]{
    \parbox{7cm}{
-   Insertion of $6000$ carbon atoms at constant\\
+   Insertion of 6000 carbon atoms at constant\\
    temperature into:
    \begin{itemize}
     \item Total simulation volume {\pnode{in1}}
@@ -458,7 +476,7 @@
     \item Volume of necessary amount of Si {\pnode{in3}}
    \end{itemize} 
   }}}}
-  \rput(3.5,1){\rnode{cool}{\psframebox[fillstyle=solid,fillcolor=cyan]{
+  \rput(3.5,1){\rnode{cool}{\psframebox[fillstyle=solid,fillcolor=lbb]{
    \parbox{3.5cm}{
    Cooling down to $20\, ^{\circ}C$
   }}}}
@@ -480,8 +498,8 @@
 \begin{slide}
 
  {\large\bf
-  Very first results of the SiC precipitation runs
- }
+  Results
+ } - SiC precipitation runs
 
  \footnotesize