From: hackbard <hackbard@hackdaworld.org>
Date: Thu, 10 Nov 2011 12:00:41 +0000 (+0100)
Subject: first version of the mpi app talk
X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=ffb6d30c2153630015f6ac2c05d6058a7c5e1dc4;p=lectures%2Flatex.git

first version of the mpi app talk
---

diff --git a/posic/talks/mpi_app.tex b/posic/talks/mpi_app.tex
index af83477..60833bd 100644
--- a/posic/talks/mpi_app.tex
+++ b/posic/talks/mpi_app.tex
@@ -56,9 +56,14 @@
 
 \usepackage{upgreek}
 
+%\newrgbcolor{hred}{0.9 0.13 0.13}
+%\newrgbcolor{hblue}{0.13 0.13 0.9}
+\newrgbcolor{hred}{1.0 0.0 0.0}
+\newrgbcolor{hblue}{0.0 0.0 1.0}
+
 \newcommand{\headdiplom}{
 \begin{pspicture}(0,0)(0,0)
-\rput(6.0,0.2){\psframebox[fillstyle=gradient,gradbegin=red,gradend=white,gradlines=1000,gradmidpoint=1,linestyle=none]{
+\rput(6.0,0.2){\psframebox[fillstyle=gradient,gradbegin=hred,gradend=white,gradlines=1000,gradmidpoint=1,linestyle=none]{
 \begin{minipage}{14cm}
 \hfill
 \vspace{0.7cm}
@@ -69,7 +74,7 @@
 
 \newcommand{\headphd}{
 \begin{pspicture}(0,0)(0,0)
-\rput(6.0,0.2){\psframebox[fillstyle=gradient,gradbegin=blue,gradend=white,gradlines=1000,gradmidpoint=1,linestyle=none]{
+\rput(6.0,0.2){\psframebox[fillstyle=gradient,gradbegin=hblue,gradend=white,gradlines=1000,gradmidpoint=1,linestyle=none]{
 \begin{minipage}{14cm}
 \hfill
 \vspace{0.7cm}
@@ -170,8 +175,6 @@ E\\
 % no vertical centering
 \centerslidesfalse
 
-\ifnum1=0
-
 % intro
 
 \begin{slide}
@@ -427,7 +430,7 @@ Ion beam synthesis (IBS) of burried 3C-SiC layers in Si\hkl(1 0 0)
 \end{center}
 
 \begin{pspicture}(0,0)(0,0)
-\rput(6.0,7.0){\rnode{init}{\psframebox[fillstyle=gradient,gradbegin=red,gradend=white,gradlines=1000,gradmidpoint=1.0,linestyle=none]{
+\rput(6.0,7.0){\rnode{init}{\psframebox[fillstyle=gradient,gradbegin=hred,gradend=white,gradlines=1000,gradmidpoint=1.0,linestyle=none]{
 \begin{minipage}{11cm}
 {\color{black}Diploma thesis}\\
  \underline{Monte Carlo} simulation modeling the selforganization process\\
@@ -436,7 +439,7 @@ Ion beam synthesis (IBS) of burried 3C-SiC layers in Si\hkl(1 0 0)
 }}}
 \end{pspicture}
 \begin{pspicture}(0,0)(0,0)
-\rput(6.0,-0.5){\rnode{init}{\psframebox[fillstyle=gradient,gradbegin=blue,gradend=white,gradmidpoint=1.0,gradlines=1000,linestyle=none]{
+\rput(6.0,-0.5){\rnode{init}{\psframebox[fillstyle=gradient,gradbegin=hblue,gradend=white,gradmidpoint=1.0,gradlines=1000,linestyle=none]{
 \begin{minipage}{11cm}
 {\color{black}Doctoral studies}\\
  Classical potential \underline{molecular dynamics} simulations \ldots\\
@@ -583,7 +586,7 @@ p_{a \rightarrow c}(\vec r) = (1 - p_{c \rightarrow a}(\vec r)) \Big(1 - \frac{\
 
 \begin{minipage}{3.7cm}
 \begin{pspicture}(0,0)(0,0)
-\rput(1.7,0.2){\psframebox[fillstyle=gradient,gradbegin=red,gradend=white,gradlines=1000,gradangle=10,gradmidpoint=1,linestyle=none]{
+\rput(1.7,0.2){\psframebox[fillstyle=gradient,gradbegin=hred,gradend=white,gradlines=1000,gradangle=10,gradmidpoint=1,linestyle=none]{
 \begin{minipage}{3.7cm}
 \hfill
 \vspace{0.7cm}
@@ -2209,6 +2212,7 @@ $\Rightarrow$ Phase transition consists of {\color{red}\underline{many}}
 {\bf Limitations related to the short range potential}\\[0.2cm]
 Cut-off function limits interaction to next neighbours\\
 $\Rightarrow$ Overestimated unphysical high forces of next neighbours
+              (factor: $2.4--3.4$)
 
 \vspace{1.4cm}
 
@@ -2249,9 +2253,6 @@ equilibrium properties
 
 \end{slide}
 
-% continue here
-\fi
-
 \begin{slide}
 
 \headphd
@@ -2350,7 +2351,7 @@ equilibrium properties
  \end{itemize}
 \end{minipage}
 
-% md support
+% conclusions
 \begin{pspicture}(0,0)(0,0)
 \rput(6.5,5.0){\psframebox[fillstyle=solid,opacity=0.5,fillcolor=black]{
 \begin{minipage}{14cm}
@@ -2362,24 +2363,46 @@ equilibrium properties
 \begin{minipage}{9cm}
 \vspace{0.2cm}
 \small
-{\color{blue}\bf Stretched structures of SiC in c-Si}
+\begin{center}
+{\color{gray}\bf Conclusions on SiC precipitation}\\[0.1cm]
+{\Huge$\lightning$} {\color{red}\ci{}} --- vs --- {\color{blue}\cs{}} {\Huge$\lightning$}\\
+\end{center}
 \begin{itemize}
-\item Consistent to precipitation model involving \cs{}
-\item Explains annealing behavior of high/low T C implants
+\item Stretched coherent SiC structures\\
+$\Rightarrow$ Precipitation process involves {\color{blue}\cs}
+\item Explains annealing behavior of high/low T C implantations
       \begin{itemize}
-       \item Low T: highly mobiel \ci{}
-       \item High T: stable configurations of \cs{}
+       \item Low T: highly mobile {\color{red}\ci}
+       \item High T: stable configurations of {\color{blue}\cs}
+      \end{itemize}
+\item Role of \si{}
+      \begin{itemize}
+       \item Vehicle to rearrange \cs --- [\cs{} \& \si{} $\leftrightarrow$ \ci]
+       \item Building block for surrounding Si host \& further SiC
+       \item Strain compensation \ldots\\
+             \ldots Si/SiC interface\\
+             \ldots Within stretched coherent SiC structure
       \end{itemize}
 \end{itemize}
-$\Rightarrow$ High T $\leftrightarrow$ IBS conditions far from equilibrium\\
-$\Rightarrow$ Precipitation mechanism involving \cs{}
-
+\vspace{0.2cm}
+\centering
+\psframebox[linecolor=blue,linewidth=0.05cm]{
+\begin{minipage}{7cm}
+\centering
+Precipitation mechanism involving \cs\\
+High T $\leftrightarrow$ IBS conditions far from equilibrium\\
 \end{minipage}
+}
+\end{minipage}
+\vspace{0.2cm}
 }}
 \end{pspicture}
 
 \end{slide}
 
+% skip high T / C conc ... only here!
+\ifnum1=0
+
 \begin{slide}
 
  {\large\bf
@@ -2446,71 +2469,56 @@ High C \& low T implants
 
 \end{slide}
 
-\end{document}
-\ifnum1=0
+% skipped high T / C conc
+\fi
 
 \begin{slide}
 
- {\large\bf
-  Summary and Conclusions
- }
-
- \scriptsize
+{\large\bf
+ Summary / Outlook
+}
 
-%\vspace{0.1cm}
+\small
 
-\framebox{
-\begin{minipage}[t]{12.9cm}
- \underline{Pecipitation simulations}
- \begin{itemize}
-  \item High C concentration $\rightarrow$ amorphous SiC like phase
-  \item Problem of potential enhanced slow phase space propagation
-  \item Low T $\rightarrow$ C-Si \hkl<1 0 0> dumbbell dominated structure
-  \item High T $\rightarrow$ C$_{\text{sub}}$ dominated structure
-  \item High T necessary to simulate IBS conditions (far from equilibrium)
-  \item Precipitation by successive agglomeration of \cs (epitaxy)
-  \item \si{}: vehicle to form \cs{} \& supply of Si \& stress compensation
-        (stretched SiC, interface)
- \end{itemize}
+\begin{pspicture}(0,0)(12,1.0)
+\psframebox[fillstyle=gradient,gradbegin=hred,gradend=white,gradlines=1000,gradmidpoint=1.0,linestyle=none]{
+\begin{minipage}{11cm}
+{\color{black}Diploma thesis}\\
+ \underline{Monte Carlo} simulation modeling the selforganization process\\
+ leading to periodic arrays of nanometric amorphous SiC precipitates
 \end{minipage}
 }
-
-%\vspace{0.1cm}
-
-\framebox{
-\begin{minipage}{12.9cm}
- \underline{Defects}
- \begin{itemize}
-   \item DFT / EA
-        \begin{itemize}
-         \item Point defects excellently / fairly well described
-               by DFT / EA
-         \item C$_{\text{sub}}$ drastically underestimated by EA
-         \item EA predicts correct ground state:
-               C$_{\text{sub}}$ \& \si{} $>$ \ci{}
-         \item Identified migration path explaining
-               diffusion and reorientation experiments by DFT
-         \item EA fails to describe \ci{} migration:
-               Wrong path \& overestimated barrier
-        \end{itemize}
-   \item Combinations of defects
-         \begin{itemize}
-          \item Agglomeration of point defects energetically favorable
-                by compensation of stress
-          \item Formation of C-C unlikely
-          \item C$_{\text{sub}}$ favored conditions (conceivable in IBS)
-          \item \ci{} \hkl<1 0 0> $\leftrightarrow$ \cs{} \& \si{} \hkl<1 1 0>\\
-                Low barrier (\unit[0.77]{eV}) \& low capture radius
-        \end{itemize}
- \end{itemize}
+\end{pspicture}\\[0.4cm]
+\begin{pspicture}(0,0)(12,2)
+\psframebox[fillstyle=gradient,gradbegin=hblue,gradend=white,gradmidpoint=1.0,gradlines=1000,linestyle=none]{
+\begin{minipage}{11cm}
+{\color{black}Doctoral studies}\\
+ Classical potential \underline{molecular dynamics} simulations \ldots\\
+ \underline{Density functional theory} calculations \ldots\\[0.2cm]
+ \ldots on defect formation and SiC precipitation in Si
 \end{minipage}
 }
-
-\begin{center}
-{\color{blue}
-\framebox{Precipitation by successive agglomeration of \cs{}}
+\end{pspicture}\\[0.5cm]
+\begin{pspicture}(0,0)(12,3)
+\psframebox[fillstyle=solid,fillcolor=white,linestyle=solid]{
+\begin{minipage}{11cm}
+\vspace{0.2cm}
+{\color{black}\bf How to proceed \ldots}\\[0.1cm]
+MC $\rightarrow$ classical potential MD $\rightarrow$ Ground-state DFT \ldots
+\begin{itemize}
+ \renewcommand\labelitemi{$\ldots$}
+ \item beyond LDA/GGA methods
+\end{itemize}
+Investigation of structure \& structural evolution \ldots
+\begin{itemize}
+ \renewcommand\labelitemi{$\ldots$}
+ \item electronic/optical properties
+ \item electronic correlations
+ \item non-equilibrium systems
+\end{itemize}
+\end{minipage}
 }
-\end{center}
+\end{pspicture}\\[0.5cm]
 
 \end{slide}
 
@@ -2562,4 +2570,3 @@ High C \& low T implants
 
 \end{document}
 
-\fi