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still ensembles ...
author
hackbard
<hackbard>
Mon, 11 Jun 2007 22:27:19 +0000
(22:27 +0000)
committer
hackbard
<hackbard>
Mon, 11 Jun 2007 22:27:19 +0000
(22:27 +0000)
posic/talks/md_simulation_von_silizium.tex
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diff --git
a/posic/talks/md_simulation_von_silizium.tex
b/posic/talks/md_simulation_von_silizium.tex
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--- a/
posic/talks/md_simulation_von_silizium.tex
+++ b/
posic/talks/md_simulation_von_silizium.tex
@@
-317,10
+317,22
@@
Kraft: ${\bf F}_i = - \nabla_{{\bf r}_i} \mathcal{V}$
\begin{slide}
{\large\bf
Wahl/Kontrolle des Ensembles
\begin{slide}
{\large\bf
Wahl/Kontrolle des Ensembles
-}
-Erinnerung:\\
-Stichproben
-Bisher: NVE-Ensemble
+}\\
+Erinnerung:
+\begin{itemize}
+ \item Stichproben aus Zust"anden im Phasenraum
+ \item Bewegungsgleichung als Propagationsvorschrift $\Rightarrow$ Gesamtenergie erhalten
+ \item Au"serdem konstant: $N$ und $V$
+\end{itemize}
+$\Rightarrow$ Simulation eines NVE-Ensembles
+\[
+ \rho_{ens}=\delta(H(t)-E)
+\]
+F"ur ander Ensembles:
+\begin{itemize}
+ \item Anpassung der Bewegungsgleichungen
+ \item Tricks
+\end{itemize}
\end{slide}
\begin{slide}
\end{slide}
\begin{slide}