first fixes to dpg talk

diff --git a/posic/figs/sic_prec_seq_02.fig b/posic/figs/sic_prec_seq_02.fig
index 859e23c..3f8710a 100644 (file)
--- a/posic/figs/sic_prec_seq_02.fig
+++ b/posic/figs/sic_prec_seq_02.fig
@@ -155,10 +155,10 @@ Single
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9000 7965 101 101 9000 7965 9101 7965
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 1800 6930 101 101 1800 6930 1901 6930
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2700 6930 101 101 2700 6930 2801 6930
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 3600 6930 101 101 3600 6930 3701 6930
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 5400 6930 101 101 5400 6930 5501 6930
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 6300 6930 101 101 6300 6930 6401 6930
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 7200 6930 101 101 7200 6930 7301 6930
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 3600 6930 101 101 3600 6930 3701 6930
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 5400 6930 101 101 5400 6930 5501 6930
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 6300 6930 101 101 6300 6930 6401 6930
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 7200 6930 101 101 7200 6930 7301 6930
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8100 6930 101 101 8100 6930 8201 6930
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9000 6930 101 101 9000 6930 9101 6930
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 1800 4905 101 101 1800 4905 1901 4905
@@ -167,7 +167,7 @@ Single
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9000 4905 101 101 9000 4905 9101 4905
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 1800 5895 101 101 1800 5895 1901 5895
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2700 5895 101 101 2700 5895 2801 5895
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 3600 5895 101 101 3600 5895 3701 5895
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 3600 5895 101 101 3600 5895 3701 5895
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8100 5895 101 101 8100 5895 8201 5895
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9000 5895 101 101 9000 5895 9101 5895
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 1800 3870 101 101 1800 3870 1901 3870
@@ -213,14 +213,14 @@ Single
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9000 1800 101 101 9000 1800 9101 1800
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2115 2520 101 101 2115 2520 2216 2520
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3015 2520 101 101 3015 2520 3116 2520
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 5715 2520 101 101 5715 2520 5816 2520
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 6615 2520 101 101 6615 2520 6716 2520
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 7515 2520 101 101 7515 2520 7616 2520
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 5715 2520 101 101 5715 2520 5816 2520
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 6615 2520 101 101 6615 2520 6716 2520
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 7515 2520 101 101 7515 2520 7616 2520
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8415 2520 101 101 8415 2520 8516 2520
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9315 2520 101 101 9315 2520 9416 2520
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2115 3555 101 101 2115 3555 2216 3555
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3015 3555 101 101 3015 3555 3116 3555
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 7515 3555 101 101 7515 3555 7616 3555
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 7515 3555 101 101 7515 3555 7616 3555
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8415 3555 101 101 8415 3555 8516 3555
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9315 3555 101 101 9315 3555 9416 3555
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2115 4590 101 101 2115 4590 2216 4590
@@ -229,7 +229,7 @@ Single
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9315 4590 101 101 9315 4590 9416 4590
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2115 5580 101 101 2115 5580 2216 5580
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3015 5580 101 101 3015 5580 3116 5580
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 7515 5580 101 101 7515 5580 7616 5580
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 7515 5580 101 101 7515 5580 7616 5580
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8415 5580 101 101 8415 5580 8516 5580
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9315 5580 101 101 9315 5580 9416 5580
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2115 6615 101 101 2115 6615 2216 6615
@@ -255,9 +255,9 @@ Single
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8325 8685 101 101 8325 8685 8426 8685
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9225 8685 101 101 9225 8685 9326 8685
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2700 2880 101 101 2700 2880 2801 2880
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 7515 4590 101 101 7515 4590 7616 4590
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 4860 2520 101 101 4860 2520 4961 2520
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 3915 2520 101 101 3915 2520 4016 2520
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 7515 4590 101 101 7515 4590 7616 4590
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 4860 2520 101 101 4860 2520 4961 2520
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 3915 2520 101 101 3915 2520 4016 2520
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 4680 3555 101 101 4680 3555 4781 3555
 1 3 0 1 4 4 50 -1 20 0.000 1 0.0000 4950 3555 101 101 4950 3555 5051 3555
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 4455 6975 101 101 4455 6975 4556 6975
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 4455 6975 101 101 4455 6975 4556 6975

diff --git a/posic/figs/sic_prec_seq_03.fig b/posic/figs/sic_prec_seq_03.fig
index 9f755e3..8356c34 100644 (file)
--- a/posic/figs/sic_prec_seq_03.fig
+++ b/posic/figs/sic_prec_seq_03.fig
@@ -208,7 +208,6 @@ Single
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 4455 720 101 101 4455 720 4556 720
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 5355 720 101 101 5355 720 5456 720
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 6255 720 101 101 6255 720 6356 720
-1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7155 720 101 101 7155 720 7256 720
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8055 720 101 101 8055 720 8156 720
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8955 720 101 101 8955 720 9056 720
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2070 405 101 101 2070 405 2171 405
@@ -230,7 +229,6 @@ Single
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2700 1800 101 101 2700 1800 2801 1800
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 4500 1800 101 101 4500 1800 4601 1800
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 5400 1800 101 101 5400 1800 5501 1800
-1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7200 1800 101 101 7200 1800 7301 1800
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 9000 1800 101 101 9000 1800 9101 1800
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 2115 2520 101 101 2115 2520 2216 2520
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3015 2520 101 101 3015 2520 3116 2520
@@ -270,25 +268,39 @@ Single
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7920 1800 101 101 7920 1800 8021 1800
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 4635 1485 101 101 4635 1485 4736 1485
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 1935 3555 101 101 1935 3555 2036 3555
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 2520 4320 101 101 2520 4320 2621 4320
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 2520 4320 101 101 2520 4320 2621 4320
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 4590 7650 101 101 4590 7650 4691 7650
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8730 6255 101 101 8730 6255 8831 6255
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 4849 7650 101 101 4849 7650 4950 7650
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 6390 7965 101 101 6390 7965 6491 7965
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 4849 7650 101 101 4849 7650 4950 7650
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 6390 7965 101 101 6390 7965 6491 7965
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 8460 7830 101 101 8460 7830 8561 7830
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 8415 7380 101 101 8415 7380 8516 7380
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 9090 4905 101 101 9090 4905 9191 4905
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 8190 1800 101 101 8190 1800 8291 1800
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 4950 1485 101 101 4950 1485 5051 1485
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 8415 7380 101 101 8415 7380 8516 7380
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 9090 4905 101 101 9090 4905 9191 4905
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 8190 1800 101 101 8190 1800 8291 1800
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 4950 1485 101 101 4950 1485 5051 1485
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 1980 4500 101 101 1980 4500 2081 4500
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 1980 6525 101 101 1980 6525 2081 6525
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3735 8595 101 101 3735 8595 3836 8595
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 4185 8415 101 101 4185 8415 4286 8415
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 4185 8415 101 101 4185 8415 4286 8415
 1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7515 1485 101 101 7515 1485 7616 1485
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 2205 3555 101 101 2205 3555 2306 3555
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 2520 6390 101 101 2520 6390 2621 6390
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 8550 3105 101 101 8550 3105 8651 3105
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 3420 1800 101 101 3420 1800 3521 1800
-1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3690 1800 101 101 3690 1800 3791 1800
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 6705 2070 101 101 6705 2070 6806 2070
-1 3 0 3 3 0 50 -1 20 0.000 1 0.0000 6165 7380 101 101 6165 7380 6266 7380
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 2205 3555 101 101 2205 3555 2306 3555
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 2520 6390 101 101 2520 6390 2621 6390
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 8550 3105 101 101 8550 3105 8651 3105
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 6705 2070 101 101 6705 2070 6806 2070
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 6165 7380 101 101 6165 7380 6266 7380
+1 3 0 3 2 0 50 -1 20 0.000 1 0.0000 2610 1215 101 101 2610 1215 2711 1215
+1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 3555 1800 101 101 3555 1800 3656 1800
+1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7245 1800 101 101 7245 1800 7346 1800
+1 3 0 1 0 0 50 -1 20 0.000 1 0.0000 7245 720 101 101 7245 720 7346 720
+2 1 1 1 0 7 50 -1 -1 4.000 0 0 -1 0 0 2
+        3555 675 3555 3645
+2 1 1 1 0 7 50 -1 -1 4.000 0 0 -1 0 0 2
+        4275 675 4275 3645
+2 1 1 1 0 7 50 -1 -1 4.000 0 0 -1 0 0 2
+        5040 675 5040 3645
+2 1 1 1 0 7 50 -1 -1 4.000 0 0 -1 0 0 2
+        5805 675 5805 3645
+2 1 1 1 0 7 50 -1 -1 4.000 0 0 -1 0 0 2
+        6525 675 6525 3645
+2 1 1 1 0 7 50 -1 -1 4.000 0 0 -1 0 0 2
+        7245 675 7245 3645

diff --git a/posic/figs/unit_cell.fig b/posic/figs/unit_cell.fig
index 213e7e2..cc811ea 100644 (file)
--- a/posic/figs/unit_cell.fig
+++ b/posic/figs/unit_cell.fig
@@ -27,8 +27,8 @@ Single
 1 3 0 1 0 0 51 -1 20 0.000 1 0.0000 6075 5400 101 101 6075 5400 6176 5400
 1 3 0 1 4 4 49 -1 20 0.000 1 0.0000 7650 4005 101 101 7650 4005 7751 4005
 1 3 1 1 0 7 49 -1 20 4.000 1 0.0000 5490 5850 101 101 5490 5850 5591 5850
-1 3 0 1 31 31 49 -1 20 0.000 1 0.0000 6885 5400 101 101 6885 5400 6986 5400
 1 3 0 1 2 2 49 -1 20 0.000 1 0.0000 6930 3690 101 101 6930 3690 7031 3690
+1 3 0 2 5 5 49 -1 20 0.000 1 0.0000 6885 5400 101 101 6885 5400 6986 5400
 2 2 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 5
         6075 900 10575 900 10575 5400 6075 5400 6075 900
 2 1 0 1 0 7 50 -1 -1 0.000 0 0 -1 0 0 2

diff --git a/posic/plot/sic_pc.gpi b/posic/plot/sic_pc.gpi
index c1a5525..bbb500c 100644 (file)
--- a/posic/plot/sic_pc.gpi
+++ b/posic/plot/sic_pc.gpi
@@ -14,7 +14,7 @@
 #    
 #      Send bug reports and suggestions to <http://sourceforge.net/projects/gnuplot>
 #    
-set terminal eepic default color
+set terminal epslatex color solid standalone
 set output 'sic_pc.tex'
 unset clip points
 set clip one

diff --git a/posic/talks/dpg_2008.tex b/posic/talks/dpg_2008.tex
index 8f01390..de7bc05 100644 (file)
--- a/posic/talks/dpg_2008.tex
+++ b/posic/talks/dpg_2008.tex
@@ -122,38 +122,7 @@
 
 % contents
 
-\begin{slide}
-
- \begin{center}
- {\bf
-  Molecular dynamics simulation study\\
-  of the silicon carbide precipitation process
- }
- \end{center}
-
- \vspace{16pt}
-
- {\large\bf
-  Outline
- }
-
- \vspace{16pt}
-
- \begin{itemize}
-  \item Motivation / Introduction
-  \item Molecular dynamics simulation details
-        \begin{itemize}
-        \item Integrator, potential, ensemble control
-        \item Simulation sequence
-       \end{itemize}
-  \item Simulation results
-        \begin{itemize}
-         \item Interstitials in silicon
-         \item SiC-precipitation experiments
-       \end{itemize}
-  \item Conclusion / Outlook
- \end{itemize}
-\end{slide}
+% no contents for such a short talk!
 
 % start of contents
 
@@ -165,7 +134,7 @@
 
  \vspace{16pt}
 
- Reasons for investigating C in Si:
+ Reasons for understanding the SiC precipitation process:
 
  \begin{itemize}
   \item 3C-SiC wide band gap semiconductor formation
@@ -180,7 +149,7 @@
  \begin{itemize}
   \item Unit cell:
         \begin{itemize}
-         \item {\color{yellow}fcc} $+$
+         \item {\color{orange}fcc} $+$
          \item {\color{gray}fcc shifted $1/4$ of volume diagonal}
        \end{itemize}
   \item Lattice constants: $4a_{Si}\approx5a_{SiC}$
@@ -278,7 +247,7 @@
        \pot_{ij} = f_C(r_{ij}) \left[ f_R(r_{ij}) + b_{ij} f_A(r_{ij}) \right]
        \]
        \begin{center}
-        {\scriptsize P. Erhart und K. Albe. Phys. Rev. B 71 (2005) 035211}
+        {\scriptsize P. Erhart and K. Albe. Phys. Rev. B 71 (2005) 035211}
        \end{center}
  \end{itemize}
 
@@ -309,7 +278,7 @@
          \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{yellow}110 dumbbell}
+              $\rightarrow$ {\color{magenta}110 dumbbell}
         \item random positions (critical distance check)
        \end{itemize}
   \item Relaxation time: $2\, ps$
@@ -322,355 +291,152 @@
 
 \end{slide}
 
-\begin{slide}
-
- {\large\bf
-  Simulation details
- }
-
- \small
-
- SiC precipitation experiments:
-
- \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}
-
 \begin{slide}
 
  {\large\bf
   Results
- }
-
- Si self-interstitial experiments:
-
- {\footnotesize
- {\bf Note:}
- \begin{itemize}
-  \item $r_{cutoff}^{Si-Si}=2.96>\frac{5.43}{2}$
-  \item Bond length near $r_{cutoff} \Rightarrow$ small bond strength
- \end{itemize}
- }
-
- \vspace{8pt}
+ } - Si self-interstitial experiments
 
  \small
 
- \begin{minipage}[t]{4.0cm}
- \underline{Tetrahedral}
- \begin{itemize}
-  \item $E_f=3.41\, eV$
-  \item essentialy tetrahedral\\
-        bonds
- \end{itemize}
- \end{minipage}
- \hspace{0.3cm}
- \begin{minipage}[t]{4.0cm}
- \underline{110 dumbbell}
- \begin{itemize}
-  \item $E_f=4.39\, eV$
-  \item essentially 4 bonds
- \end{itemize}
- \end{minipage}
- \hspace{0.3cm}
- \begin{minipage}[t]{4.0cm}
- \underline{Hexagonal}
- \begin{itemize}
-  \item $E_f^{\star}\approx4.48\, eV$
-  \item unstable!
- \end{itemize}
- \end{minipage}
-
- \vspace{8pt}
-
  \begin{minipage}[t]{4.3cm}
+ \underline{Tetrahedral}\\
+ $E_f=3.41\, eV$\\
  \includegraphics[width=3.8cm]{si_self_int_tetra_0.eps}
  \end{minipage}
  \begin{minipage}[t]{4.3cm}
+ \underline{110 dumbbell}\\
+ $E_f=4.39\, eV$\\
  \includegraphics[width=3.8cm]{si_self_int_dumbbell_0.eps}
  \end{minipage}
  \begin{minipage}[t]{4.3cm}
+ \underline{Hexagonal} \hspace{4pt}
+ \href{../video/si_self_int_hexa.avi}{$\rhd$}\\
+ $E_f^{\star}\approx4.48\, eV$ (unstable!)\\
  \includegraphics[width=3.8cm]{si_self_int_hexa_0.eps}
- \begin{center}
- \href{../video/si_self_int_hexa.avi}{$\rhd$}
- \end{center}
  \end{minipage}
 
-\end{slide}
-
-\begin{slide}
-
- {\large\bf
-  Results
- }
-
- \vspace{8pt}
-
- Si self-interstitial \underline{random insertion} experiments:
-
- \small
-
- \vspace{8pt}
-
- \begin{minipage}[t]{4.0cm}
- \begin{itemize}
-  \item $E_f=3.97\, eV$
-  \item 3 identical weak bonds
-  \item displaced in volume\\ diagonal
- \end{itemize}
- \end{minipage}
- \hspace{0.3cm}
- \begin{minipage}[t]{4.0cm}
- \begin{itemize}
-  \item $E_f=3.75\, eV$
-  \item 4 identical weak bonds
-  \item displaced in plane\\ diagonal
- \end{itemize}
- \end{minipage}
- \hspace{0.3cm}
- \begin{minipage}[t]{4.0cm}
- \begin{itemize}
-  \item $E_f=3.56\, eV$
-  \item single weak bond
-  \item displaced along\\ $x$-direction
-  \item closest to tetrahedral\\ configuration
- \end{itemize}
- \end{minipage}
-
- \vspace{8pt}
+ \underline{Random insertion}
 
  \begin{minipage}{4.3cm}
+ $E_f=3.97\, eV$\\
  \includegraphics[width=3.8cm]{si_self_int_rand_397_0.eps}
  \end{minipage}
  \begin{minipage}{4.3cm}
+ $E_f=3.75\, eV$\\
  \includegraphics[width=3.8cm]{si_self_int_rand_375_0.eps}
  \end{minipage}
  \begin{minipage}{4.3cm}
+ $E_f=3.56\, eV$\\
  \includegraphics[width=3.8cm]{si_self_int_rand_356_0.eps}
  \end{minipage}
 
- \vspace{8pt}
-
- \begin{center}
-  {\footnotesize
-   {\bf Note:} Displacements relative to tetrahedral configuration
-  }
- \end{center}
-
 \end{slide}
 
 \begin{slide}
 
  {\large\bf
   Results
- }
-
- \vspace{8pt}
-
- Carbon interstitial experiments:
-
- \vspace{12pt}
+ } - Carbon interstitial experiments
 
  \small
 
- \begin{minipage}[t]{4.0cm}
- \underline{Tetrahedral}
- \begin{itemize}
-  \item $E_f=2.67\, eV$
-  \item tetrahedral bond
- \end{itemize}
- \end{minipage}
- \hspace{0.3cm}
- \begin{minipage}[t]{4.0cm}
- \underline{110 dumbbell}
- \begin{itemize}
-  \item $E_f=1.76\, eV$
-  \item C forms 3 bonds
- \end{itemize}
- \end{minipage}
- \hspace{0.3cm}
- \begin{minipage}[t]{4.0cm}
- \underline{Hexagonal}
- \begin{itemize}
-  \item $E_f^{\star}\approx5.6\, eV$
-  \item unstable!
- \end{itemize}
- \end{minipage}
-
- \vspace{8pt}
-
  \begin{minipage}[t]{4.3cm}
+ \underline{Tetrahedral}\\
+ $E_f=2.67\, eV$\\
  \includegraphics[width=3.8cm]{c_in_si_int_tetra_0.eps}
  \end{minipage}
  \begin{minipage}[t]{4.3cm}
+ \underline{110 dumbbell}\\
+ $E_f=1.76\, eV$\\
  \includegraphics[width=3.8cm]{c_in_si_int_dumbbell_0.eps}
  \end{minipage}
  \begin{minipage}[t]{4.3cm}
+ \underline{Hexagonal} \hspace{4pt}
+ \href{../video/c_in_si_int_hexa.avi}{$\rhd$}\\
+ $E_f^{\star}\approx5.6\, eV$ (unstable!)\\
  \includegraphics[width=3.8cm]{c_in_si_int_hexa_0.eps}
- \begin{center}
- \href{../video/c_in_si_int_hexa.avi}{$\rhd$}
- \end{center}
  \end{minipage}
 
+ \underline{Random insertion}
+
+ \footnotesize
+
+\begin{minipage}[t]{3.3cm}
+   $E_f=0.47\, eV$\\
+   \includegraphics[width=3.3cm]{c_in_si_int_001db_0.eps}
+   \begin{picture}(0,0)(-15,-3)
+    001 dumbbell
+   \end{picture}
+\end{minipage}
+\begin{minipage}[t]{3.3cm}
+   $E_f=1.62\, eV$\\
+   \includegraphics[width=3.2cm]{c_in_si_int_rand_162_0.eps}
+\end{minipage}
+\begin{minipage}[t]{3.3cm}
+   $E_f=2.39\, eV$ \hspace{2pt}
+   \href{../video/c_in_si_int_rand_239.avi}{$\rhd$}\\
+   \includegraphics[width=3.1cm]{c_in_si_int_rand_239_0.eps}
+\end{minipage}
+\begin{minipage}[t]{3.0cm}
+   $E_f=3.41\, eV$ \hspace{2pt}
+   \href{../video/c_in_si_int_rand_341.avi}{$\rhd$}\\
+   \includegraphics[width=3.3cm]{c_in_si_int_rand_341_0.eps}
+\end{minipage}
+
 \end{slide}
 
 \begin{slide}
 
  {\large\bf
-  Results
+  Simulation details
  }
 
- %\vspace{8pt}
-
- Carbon \underline{random insertion} experiments:
+ \small
 
- %\vspace{8pt}
+ \vspace{8pt}
 
- \footnotesize
+ SiC precipitation experiments:
 
- \begin{minipage}[c]{6.3cm}
-  \begin{minipage}{3.4cm}
-   \includegraphics[width=3.3cm]{c_in_si_int_001db_0.eps}
-  \end{minipage}
-  \begin{minipage}{2.5cm}
-   \begin{itemize}
-    \item $E_f=0.47\, eV$
-    \item 001 dumbbell
-   \end{itemize}
-  \end{minipage}
- \end{minipage}
- \begin{minipage}[c]{6.3cm}
-  \begin{minipage}{3.4cm}
-   \includegraphics[width=3.3cm]{c_in_si_int_rand_162_0.eps}
-  \end{minipage}
-  \begin{minipage}{2.8cm}
-   \begin{itemize}
-    \item $E_f=1.62\, eV$
-    \item 3 weak + strong bonds
-   \end{itemize}
-  \end{minipage}
- \end{minipage}
+ \vspace{8pt}
 
- \begin{minipage}[c]{6.3cm}
-  \begin{minipage}{3.4cm}
-   \includegraphics[width=3.3cm]{c_in_si_int_rand_239_0.eps}
-  \end{minipage}
-  \begin{minipage}{2.5cm}
+ \begin{pspicture}(0,0)(12,8)
+  % nodes
+  \rput(3.5,6.5){\rnode{init}{\psframebox[fillstyle=solid,fillcolor=green]{
+   \parbox{7cm}{
    \begin{itemize}
-    \item $E_f=2.39\, eV$
+    \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}
-   \begin{center}
-    \href{../video/c_in_si_int_rand_239.avi}{$\rhd$}
-   \end{center}
-  \end{minipage}
- \end{minipage}
- \begin{minipage}[c]{6.3cm}
-  \begin{minipage}{3.4cm}
-   \includegraphics[width=3.3cm]{c_in_si_int_rand_341_0.eps}
-  \end{minipage}
-  \begin{minipage}{2.8cm}
+  }}}}
+  \rput(3.5,3.2){\rnode{insert}{\psframebox[fillstyle=solid,fillcolor=red]{
+   \parbox{7cm}{
+   Insertion of $6000$ carbon atoms at constant\\
+   temperature into:
    \begin{itemize}
-    \item $E_f=3.41\, eV$
-   \end{itemize}
-   \begin{center}
-    \href{../video/c_in_si_int_rand_341.avi}{$\rhd$}
-   \end{center}
-  \end{minipage}
- \end{minipage}
-
- \vspace{4pt}
-
- \begin{center}
- {\bf Note:} High probability for 110 dumbbell ($1.76\, eV$) configurations!
- \end{center}
+    \item Total simulation volume {\pnode{in1}}
+    \item Volume of minimal SiC precipitation {\pnode{in2}}
+    \item Volume of necessary amount of Si {\pnode{in3}}
+   \end{itemize} 
+  }}}}
+  \rput(3.5,1){\rnode{cool}{\psframebox[fillstyle=solid,fillcolor=cyan]{
+   \parbox{3.5cm}{
+   Cooling down to $20\, ^{\circ}C$
+  }}}}
+  \ncline[]{->}{init}{insert}
+  \ncline[]{->}{insert}{cool}
+  \psframe[fillstyle=solid,fillcolor=white](7.5,1.8)(13.5,7.8)
+  \psframe[fillstyle=solid,fillcolor=lightgray](9,3.3)(12,6.3)
+  \psframe[fillstyle=solid,fillcolor=gray](9.25,3.55)(11.75,6.05)
+  \rput(7.9,4.8){\pnode{ins1}}
+  \rput(9.22,4.4){\pnode{ins2}}
+  \rput(10.5,4.8){\pnode{ins3}}
+  \ncline[]{->}{in1}{ins1}
+  \ncline[]{->}{in2}{ins2}
+  \ncline[]{->}{in3}{ins3}
+ \end{pspicture}
 
 \end{slide}
 
@@ -683,7 +449,6 @@
  SiC-precipitation experiments:
 
  \begin{minipage}[t]{6.3cm}
-  %\input{../plot/sic_prec}
   \includegraphics[width=6.0cm]{../plot/sic_prec_energy.ps}
   \includegraphics[width=6.0cm]{../plot/sic_prec_temp.ps}
  \end{minipage}
@@ -697,7 +462,7 @@
 \begin{slide}
 
  {\large\bf
-  Conclusion / Outlook
+  Summary / Outlook
  }
 
 \vspace{24pt}