\usepackage{pstricks}
\usepackage{pst-node}
-\usepackage{epic}
-\usepackage{eepic}
+%\usepackage{epic}
+%\usepackage{eepic}
\usepackage{graphicx}
\graphicspath{{../img/}}
\item {\color{orange}fcc} $+$
\item {\color{gray}fcc shifted $1/4$ of volume diagonal}
\end{itemize}
- \item Lattice constants: $4a_{Si}\approx5a_{SiC}$
+ \item Lattice constants:
+ \[
+ 4a_{Si}\approx5a_{SiC}
+ \]
\item Silicon density:
\[
- \frac{n_{SiC}}{n_{Si}}=
- \frac{4/a_{SiC}^3}{8/a_{Si}^3}=
- \frac{5^3}{2\cdot4^3}={\color{cyan}97,66}\,\%
- \]
+ \frac{n_{SiC}}{n_{Si}}=97,66\,\%
+ \]
\end{itemize}
\end{minipage}
\hspace{8pt}
Experimentally observed:
\begin{itemize}
\item Minimal diameter of precipitation: 4 - 5 nm
- \item (hkl)-planes identical for Si and SiC
+ \item Equal orientation of Si and SiC (hkl)-planes
\end{itemize}
\end{slide}
Application details:
\begin{itemize}
\item Integrator: Velocity Verlet, timestep: $1\, fs$
- \item Ensemble control: NVT, Berendsen thermostat, $\tau=100.0$
+ \item Ensemble: NVT, Berendsen thermostat, $\tau=100.0$
\item Potential: Tersoff-like bond order potential\\
\[
E = \frac{1}{2} \sum_{i \neq j} \pot_{ij}, \quad
Simulation details
}
- \vspace{20pt}
+ \vspace{8pt}
- Interstitial experiments:
+ Interstitial simulations:
- \vspace{12pt}
+ \vspace{8pt}
- \begin{itemize}
- \item Initial configuration: $9\times9\times9$ unit cells Si
- \item Periodic boundary conditions
- \item $T=0 \, K$
- \item Insertion of Si / C atom at
- \begin{itemize}
- \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{magenta}110 dumbbell}
- \item random positions (critical distance check)
- \end{itemize}
- \item Relaxation time: $2\, ps$
- \item Optional heating-up
- \end{itemize}
+ \begin{pspicture}(0,0)(7,8)
+ \rput(3.5,7){\rnode{init}{\psframebox[fillstyle=solid,fillcolor=green]{
+ \parbox{7cm}{
+ \begin{itemize}
+ \item Initial configuration: $9\times9\times9$ unit cells Si
+ \item Periodic boundary conditions
+ \item $T=0 \, K$
+ \end{itemize}
+ }}}}
+\rput(3.5,3.5){\rnode{insert}{\psframebox{
+ \parbox{7cm}{
+ Insertion of C / Si atom:
+ \begin{itemize}
+ \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{magenta}110 dumbbell}
+ \item random positions (critical distance check)
+ \end{itemize}
+ }}}}
+ \rput(3.5,1){\rnode{cool}{\psframebox[fillstyle=solid,fillcolor=cyan]{
+ \parbox{3.5cm}{
+ Relaxation time: $2\, ps$
+ }}}}
+ \ncline[]{->}{init}{insert}
+ \ncline[]{->}{insert}{cool}
+ \end{pspicture}
\begin{picture}(0,0)(-210,-45)
\includegraphics[width=6cm]{unit_cell.eps}
{\large\bf
Results
- } - Si self-interstitial experiments
+ } - Si self-interstitial runs
\small
{\large\bf
Results
- } - Carbon interstitial experiments
+ } - Carbon interstitial runs
\small
\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}{$\rhd$}\\
+ $E_f=2.39\, eV$\\
\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}{$\rhd$}\\
+ $E_f=3.41\, eV$\\
\includegraphics[width=3.3cm]{c_in_si_int_rand_341_0.eps}
\end{minipage}
\vspace{8pt}
- SiC precipitation experiments:
+ SiC precipitation simulations:
\vspace{8pt}
\begin{slide}
{\large\bf
- Results
+ Very first results of the SiC precipitation runs
}
- SiC-precipitation experiments:
+ \footnotesize
- \begin{minipage}[t]{6.3cm}
- \includegraphics[width=6.0cm]{../plot/sic_prec_energy.ps}
- \includegraphics[width=6.0cm]{../plot/sic_prec_temp.ps}
+ \begin{minipage}[b]{6.9cm}
+ \includegraphics[width=6.3cm]{../plot/sic_prec_energy.ps}
+ \includegraphics[width=6.3cm]{../plot/sic_prec_temp.ps}
\end{minipage}
- \begin{minipage}[t]{6cm}
- \includegraphics[width=6.0cm]{../plot/sic_pc.ps}
- \includegraphics[width=6.0cm]{../plot/sic_prec_pc.ps}
+ \begin{minipage}[b]{5.5cm}
+ \begin{itemize}
+ \item {\color{red} Total simulation volume}
+ \item {\color{green} Volume of minimal SiC precipitation}
+ \item {\color{blue} Volume of necessary amount of Si}
+ \end{itemize}
+ \vspace{40pt}
+ \includegraphics[width=6.3cm]{../plot/foo150.ps}
+ \end{minipage}
+
+\end{slide}
+
+\begin{slide}
+
+ {\large\bf
+ Very first results of the SiC precipitation runs
+ }
+
+ \begin{minipage}[t]{6.9cm}
+ \includegraphics[width=6.3cm]{../plot/sic_pc.ps}
+ \includegraphics[width=6.3cm]{../plot/foo_end.ps}
+ \hspace{12pt}
+ \end{minipage}
+ \begin{minipage}[c]{5.5cm}
+ \includegraphics[width=6.0cm]{sic_si-c-n.eps}
\end{minipage}
\end{slide}
\vspace{24pt}
\begin{itemize}
- \item Importance of understanding C in Si
+ \item Importance of understanding the SiC precipitation mechanism
\item Interstitial configurations in silicon using the Albe potential
\item Indication of SiC precipitation
\end{itemize}
-\vspace{16pt}
+\vspace{24pt}
\begin{itemize}
\item Displacement and stress calculations
- \item Diffusion dependence of temperature and carbon concentration
- \item Analyzing results of the precipitation simulation runs
+ \item Refinement of simulation sequence to create 3C-SiC
\item Analyzing self-designed Si/SiC interface
\end{itemize}
projects / lectures / latex.git / blobdiff