\item $T=0 \, K$
\item Insertion of Si / C atom at
\begin{itemize}
- \item $(0,0,0)$ (tetrahedral)
- \item $(-1/8,-1/8,1/8)$ (hexagonal)
- \item $(-1/8,-1/8,-1/4)$, $(-1/4,-1/4,-1/4)$ (110 dumbbell)
+ \item $(0,0,0)$ $\rightarrow$ tetrahedral
+ \item $(-1/8,-1/8,1/8)$ $\rightarrow$ hexagonal
+ \item $(-1/8,-1/8,-1/4)$, $(-1/4,-1/4,-1/4)$
+ $\rightarrow$ 110 dumbbell
\item random positions (critical distance check)
\end{itemize}
\item Relaxation time: $2\, ps$
Simulation details
}
+ \small
+
SiC precipitation experiments:
\begin{itemize}
\item Initial configuration: $31\times31\times31$ unit cells Si
\end{itemize}
\end{itemize}
- 3 szenarios
- \begin{itemize}
- \item $V_ins$: total volume $V$
- \item $V_ins$:
- \end{itemize}
+ Szenarios:
+ \begin{enumerate}
+ \item $V_{ins}$: total simulation volume $V$
+ \item $V_{ins}$: $12\times12\times12$ SiC unit cells
+ ($\sim$ volume of minimal SiC precipitation)
+ \item $V_{ins}$: $9\times9\times9$ SiC unit cells
+ ($\sim$ volume of necessary amount of Si)
+ \end{enumerate}
\end{slide}