From ffb6d30c2153630015f6ac2c05d6058a7c5e1dc4 Mon Sep 17 00:00:00 2001 From: hackbard Date: Thu, 10 Nov 2011 13:00:41 +0100 Subject: [PATCH] first version of the mpi app talk --- posic/talks/mpi_app.tex | 157 +++++++++++++++++++++------------------- 1 file changed, 82 insertions(+), 75 deletions(-) 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 -- 2.20.1